3-beta-D-Glucopyranosyl-1-methyl-1-nitrosourea
Basic information
- CAS
37793-17-2- Standard SMILES
CN(N=O)C(=O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
ZWHIVVBRAXOOHL-WLDMJGECSA-N- Molecular formula
- C8H15N3O7
- Average molar mass
- 265.22 g/mol
- Monoisotopic mass
- 265.09099983
Names & identifiers
- Preferred name
- 3-beta-D-Glucopyranosyl-1-methyl-1-nitrosourea
- IUPAC
- 1-methyl-1-nitroso-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
- English name
- N'-β-D-Glucopyranosyl-N-methyl-N-nitrosourea
- Molecular formula
- C8H15N3O7
- Molecular weight
- 265.22
Names & synonyms
3-beta-D-Glucopyranosyl-1-methyl-1-nitrosourea37793-17-2N'-beta-D-Glucopyranosyl-N-methyl-N-nitrosoureaSZA1CCRIS 10503beta-D-Glucopyranosyl-1-methyl-1-nitrosoureaN'-beta'-D-Glucopyranosyl-N-methyl-N-nitrosoureaU-29,632D-1-(3-Methyl-3-nitrosoureido)-1-deoxyglucopyranose1-methyl-1-nitroso-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ureaGlucopyranose, 1-deoxy-1-(3-methyl-3-nitrosoureido)-, D-Urea, N'-beta-D-glucopyranosyl-N-methyl-N-nitroso-
Show more names
U-29632N'-β-D-Glucopyranosyl-N-methyl-N-nitrosoureaUrea, N'-β-D-glucopyranosyl-N-methyl-N-nitroso-
SCHEMBL29558365DTXSID00958835N-{Hydroxy[methyl(nitroso)amino]methylidene}hexopyranosylamineN-{Hydroxy[methyl(nitroso)amino]methylidene}-D-glucopyranosylamine
Database identifiers
- CAS
37793-17-2- PubChem CID
- 148227
- DTXSID
DTXSID00958835
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- 8.71 · 8.71±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…