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Molecule
Streptozotocin
CAS: 18883-66-4 · C8H15N3O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18883-66-4
- Molecular Formula
- C8H15N3O7
- Molecular Mass
- 265.22 g/mol
Identifiers
CAS Registry Number
18883-66-4
SMILES
CN(N=O)C(O)=N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Key
AGRCPNMCOXLKFO-BDVNFPICSA-N
InChI
InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)/t4-,5+,6+,7+/m0/s1
Names and Synonyms
- Streptozotocin Common Name
- D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- Synonym
- Glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, D- Synonym
- 2-Deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose Synonym
- Streptozotocin Synonym
- Streptozoticin Synonym
- NSC 85998 Synonym
- Streptozocin Synonym
- STRZ Synonym
- STZ Synonym
- NSC 37917 Synonym
- Zanosar Synonym
- U 9889 Synonym
- Estreptozocin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.22 g/mol | CAS Common Chemistry |
| 265.222 g/mol | RDKit | |
| Canonical SMILES | O=NN(C(=O)NC(C=O)C(O)C(O)C(O)CO)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)/t4-,5+,6+,7+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AGRCPNMCOXLKFO-BDVNFPICSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | Streptozotocin | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 163.25 Ų | RDKit |
| 163.02 Ų | chempirical lib | |
| LogP | -2.843899999999999 | RDKit |
| -2.8439 | RDKit | |
| Molar Refractivity | 58.580000000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 265.09099982000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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.
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MW = 265.22 g/mol. Edit any field — others recompute live.
