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Chemistry Of Ascorbic Acid
CAS: 50-81-7 | C6H8O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-81-7
Molecular Formula:
C6H8O6
Molecular Weight:
176.124 g/mol
Names and Synonyms:
Chemistry Of Ascorbic Acid
Common Name
Vitamin C Type SS
Synonym
Vitaminum C Aflofarm
Synonym
5-(1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one
Synonym
5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone
Synonym
5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5H-furan-2-one
Synonym
Novasol Cof
Synonym
Emvit-C
Synonym
Bovi-C
Synonym
Energil C
Synonym
Ascorbalox
Synonym
Pascorbin
Synonym
Monovitan C
Synonym
Vaginorm-C
Synonym
Tanvimil C
Synonym
Cevarol
Synonym
Vitashure 160
Synonym
Rovimix C-EC
Synonym
Cinal
Synonym
100M
Synonym
VC 40
Synonym
C-L 6/PW
Synonym
Ascorell
Synonym
Cell C
Synonym
NSC 33832
Synonym
NSC 218455
Synonym
E 300
Synonym
Cetebe
Synonym
Cetane-Caps TC
Synonym
Cetane
Synonym
Ascorbicap
Synonym
Ceklin
Synonym
Cewin
Synonym
Viscorin 100M
Synonym
Suncoat VC 40
Synonym
Kangbingfeng
Synonym
VC 97
Synonym
P 1110
Synonym
Vasc
Synonym
Rovimix C
Synonym
Juvamine
Synonym
Rontex 100
Synonym
L-(+)-Ascorbic acid
Synonym
Ronotec 100
Synonym
L-threo-Ascorbic acid
Synonym
Chewcee
Synonym
Citrovit
Synonym
(+)-Ascorbic acid
Synonym
Neo-Valdrin
Synonym
Hicee
Synonym
Ascoltin
Synonym
Viscorin
Synonym
IDO-C
Synonym
Vitace
Synonym
Viforcit
Synonym
Ascorbutina
Synonym
Cemagyl
Synonym
Cebion
Synonym
Celaskon
Synonym
Xitix
Synonym
Scorbu C
Synonym
Colascor
Synonym
Cetamid
Synonym
Hybrin
Synonym
Adenex
Synonym
Testascorbic
Synonym
C-Vimin
Synonym
L-Xyloascorbic acid
Synonym
Cevital
Synonym
Xyloascorbic acid, L-
Synonym
L-Lyxoascorbic acid
Synonym
Ascorbic acid
Synonym
L-threo-Hex-2-enonic acid, γ-lactone
Synonym
Vitacee
Synonym
Redoxon
Synonym
Vitascorbol
Synonym
Vitamisin
Synonym
Vitamin C
Synonym
Vitacin
Synonym
Vitacimin
Synonym
Vicin
Synonym
Vicelat
Synonym
Secorbate
Synonym
Ribena
Synonym
C-Quin
Synonym
Proscorbin
Synonym
Planavit C
Synonym
3-Oxo-L-gulofuranolactone
Synonym
Liqui-Cee
Synonym
Lemascorb
Synonym
Laroscorbine
Synonym
L-3-Keto-threo-hexuronic acid lactone
Synonym
3-keto-L-Gulofuranolactone
Synonym
Davitamon C
Synonym
Concemin
Synonym
Cipca
Synonym
Ciamin
Synonym
Cevitex
Synonym
Cevitan
Synonym
Cevitamin
Synonym
Cevitamic acid
Synonym
Ce-Vi-Sol
Synonym
Cevimin
Synonym
Cevex
Synonym
Cevatine
Synonym
Cevalin
Synonym
Cetemican
Synonym
Cescorbat
Synonym
Cergona
Synonym
Cereon
Synonym
Cenetone
Synonym
Ce-Mi-Lin
Synonym
Celin
Synonym
Ceglion
Synonym
Cegiolan
Synonym
Cecon
Synonym
Cebione
Synonym
Cebicure
Synonym
Catavin C
Synonym
Cantaxin
Synonym
Cantan
Synonym
Ascorvit
Synonym
Ascorteal
Synonym
Ascorin
Synonym
Ascorbajen
Synonym
Antiscorbutic vitamin
Synonym
Antiscorbic vitamin
Synonym
Allercorb
Synonym
L-Ascorbic acid
Synonym
Identifiers:
SMILES:
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChI:
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 176.124 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 176.032087976 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.4073999999999995 | RDKit |
| molecular_mass | 176.12 g/mol | Legacy Database |
| density | 1.65 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chemistry_of_ascorbic_acid None | Legacy Database |
| cas-canonical-smile | O=C1OC(C(O)=C1O)C(O)CO None | Legacy Database |
| cas-density | 1.65 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CIWBSHSKHKDKBQ-JLAZNSOCSA-N None | Legacy Database |
| cas-melting-point | 190-192 °C (decomp) None | Legacy Database |
| cas-name | L-Ascorbic acid None | Legacy Database |
| wikipedia-name | Chemistry of ascorbic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.25619999999999 | RDKit |