chempirical

2-Deoxy-2-sulfoamino-D-glucose sodium salt

C6H12NNaO8SCAS 38899-05-7281.21 g/mol

Open in Covalent MOL file
O−SOONHOOHOHOHOHNa+
AlcoholAldehyde

Properties

Molecular formula
C6H12NNaO8S
Molar mass
281.21 g/mol
Exact mass
281.0181 Da
logP
-4.36Crippen estimate
Polar surface area
164.4 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
7
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
38899-05-7
SMILES
[O-]S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]
InChIKey
WIHMWELZJKBECO-BTVCFUMJSA-N
InChI
InChI=1S/C6H13NO8S.Na/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9;/h1,3-7,9-12H,2H2,(H,13,14,15);/t3-,4+,5+,6+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • D-Glucose, 2-deoxy-2-(sulfoamino)-, sodium salt (1:1)
  • D-Glucose, 2-deoxy-2-(sulfoamino)-, monosodium salt
  • Glucosamine, N-sulfo-, sodium salt

Work with 2-Deoxy-2-sulfoamino-D-glucose sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Potassium 2-deoxy-2-sulfoamino-D-glucose31284-96-585 % similar Glucosamine3416-24-847 % similar D-Glucosamine sulfate14999-43-046 % similar Glucosamine sulfate29031-19-446 % similar L-Mannose10030-80-545 % similar L-Galactose15572-79-945 % similar Altrose1990-29-045 % similar L-Talose23567-25-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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