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Biotin N-Hydroxysuccinimide Ester
CAS: 35013-72-0 | C14H19N3O5S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
35013-72-0
Molecular Formula:
C14H19N3O5S
Molecular Mass:
341.39 g/mol
Names and Synonyms:
Biotin N-Hydroxysuccinimide Ester
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester, (3aS,4S,6aR)-
2,5-Pyrrolidinedione, 1-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]oxy]-, [3aS-(3aα,4β,6aα)]-
2,5-Pyrrolidinedione, 1-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]oxy]-
1H-Thieno[3,4-d]imidazole, 2,5-pyrrolidinedione deriv.
Biotin N-hydroxysuccinimide ester
Biotin N-hydroxysuccinimide
(N-Hydroxysuccinimidyl)biotin
D-Biotin N-hydroxysuccinimide ester
NSC 345668
Biotin N-hydroxysuccinimidyl ester
(+)-Biotin N-hydroxysuccinimide ester
Biotin NHS
EZ-Link NHS-Biotin
NHS Biotin
Biotin succinimidyl ester
Biotin-OSu
Biotin NHS ester
N-Succinimidyl D-biotinate
(+)-Biotinyl-N-hydroxysuccinimide
Identifiers:
SMILES:
O=C(CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)ON1C(=O)CCC1=O
InChI:
InChI=1S/C14H19N3O5S/c18-10-5-6-11(19)17(10)22-12(20)4-2-1-3-9-13-8(7-23-9)15-14(21)16-13/h8-9,13H,1-7H2,(H2,15,16,21)/t8-,9-,13-/m0/s1
Key Properties
Melting Point
138-140 °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 | 341.39 g/mol | CAS Common Chemistry |
| 341.3890000000002 g/mol | RDKit | |
| 341.104541708 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H19N3O5S/c18-10-5-6-11(19)17(10)22-12(20)4-2-1-3-9-13-8(7-23-9)15-14(21)16-13/h8-9,13H,1-7H2,(H2,15,16,21)/t8-,9-,13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YMXHPSHLTSZXKH-RVBZMBCESA-N | CAS Common Chemistry |
| Melting Point | 138-140 °C | CAS Common Chemistry |
| Name | Biotin N-hydroxysuccinimide ester | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 108.29999999999998 Ų | RDKit |
| LogP | 0.5237999999999998 | RDKit |
| Molar Refractivity | 82.66850000000004 | RDKit |
