1-Deoxy-1-nitro-D-galactitol

HCID 88740CAS 20971-06-6
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Basic information

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

Names & identifiers

Preferred name
1-Deoxy-1-nitro-D-galactitol
IUPAC
(2R,3S,4R,5S)-6-nitrohexane-1,2,3,4,5-pentol
English name
1-DEOXY-1-NITRO-D-GALACTITOL
Molecular formula
C6H13NO7
Molecular weight
211.17

Names & synonyms

1-Deoxy-1-nitro-D-galactitol20971-06-6EINECS 244-132-9RefChem:75576244-132-9(2R,3S,4R,5S)-6-nitrohexane-1,2,3,4,5-pentolD-Galactitol, 1-deoxy-1-nitro-C6H13NO7SCHEMBL5522815HOFCJTOUEGMYBT-KCDKBNATSA-NDTXSID301308707GEO-04690
Show more names
1-Nitro-1-deoxy-D-galactitol1-Deoxy-1-nitro-D-galactitol,99%1-DEOXY-1-NITRO-D-GALACTITOL USP/EP/BP
MD02049NS00084732

Database identifiers

CAS
20971-06-6
PubChem CID
88740
DTXSID
DTXSID301308707
EC Number
244-132-9
Nikkaji
J225.371B

Properties

Computed structural properties

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

Physicochemical properties

Melting point
142 °C · 142 °C
Boiling point
350.84 °C · 350.84°C (rough estimate)
Density
1.5172 · 1.5172 (rough estimate)
refractive index
1.424 · 1.4240 (estimate)
form
Crystalline Powder
color
White

Safety & regulation

Safety data

hs_code
29400000
safety_code
24/25

Chemistry & industry

Suppliers10 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

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