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2,3-O-Isopropylidene-D-Ribonolactone
CAS: 30725-00-9 | C8H12O5
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
30725-00-9
Molecular Formula:
C8H12O5
Molecular Mass:
188.18 g/mol
Names and Synonyms:
2,3-O-Isopropylidene-D-Ribonolactone
D-Ribonic acid, 2,3-O-(1-methylethylidene)-, γ-lactone
Ribonic acid, 2,3-O-isopropylidene-, γ-lactone, D-
Ribonic acid, 2,3-O-isopropylidene-, γ-lactone
Furo[3,4-d]-1,3-dioxole, D-ribonic acid deriv.
2,3-O-Isopropylidene-D-ribonolactone
2,3-O-Isopropylidene-D-ribono-1,4-lactone
2,3-O,O′-Isopropylidene-D-ribono-1,4-lactone
2,3-Isopropylidene(D-ribonolactone)
Identifiers:
SMILES:
CC1(C)O[C@@H]2[C@@H](CO)OC(=O)[C@@H]2O1
InChI:
InChI=1S/C8H12O5/c1-8(2)12-5-4(3-9)11-7(10)6(5)13-8/h4-6,9H,3H2,1-2H3/t4-,5-,6-/m1/s1
Key Properties
Melting Point
138-139 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.18 g/mol | CAS Common Chemistry |
| 188.17899999999997 g/mol | RDKit | |
| 188.068473484 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CO)C2OC(OC12)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12O5/c1-8(2)12-5-4(3-9)11-7(10)6(5)13-8/h4-6,9H,3H2,1-2H3/t4-,5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NHHKFJCWLPPNCN-HSUXUTPPSA-N | CAS Common Chemistry |
| Melting Point | 138-139 °C | CAS Common Chemistry |
| Name | 2,3-O-Isopropylidene-D-ribonolactone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.99 Ų | RDKit |
| LogP | -0.5758000000000001 | RDKit |
| Molar Refractivity | 40.79080000000001 | RDKit |
