1-Deoxy-1-nitro-L-glucitol

HCID 13388317
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Basic information

CAS
69257-51-8
Standard SMILES
O=[N+]([O-])C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIKey
HOFCJTOUEGMYBT-VANKVMQKSA-N
Molecular formula
C6H13NO7
Average molar mass
211.17 g/mol
Monoisotopic mass
211.06920176

Names & identifiers

Preferred name
1-Deoxy-1-nitro-L-glucitol
IUPAC
(2S,3S,4S,5R)-6-nitrohexane-1,2,3,4,5-pentol

Names & synonyms

1-Deoxy-1-nitro-L-glucitol69257-51-8EINECS 273-939-9DTXSID30219320RefChem:75578DTXCID50141811273-939-9SCHEMBL9809650MD183192NS00091003(2S,3S,4S,5R)-6-Nitrohexane-1,2,3,4,5-pentaol

Database identifiers

CAS
69257-51-8
PubChem CID
13388317
DTXSID
DTXSID30219320
EC Number
273-939-9
Nikkaji
J317.961C

Properties

Computed structural propertiesFilling in

XLogP
-3.1
Topological polar surface area
147 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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