D-glucosamine 6-phosphate

HCID 440997

基本情報

標準SMILES: N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIKey: XHMJOUIAFHJHBW-IVMDWMLBSA-N
分子式: C6H14NO8P
平均分子量: 259.15 g/mol
単同位体質量: 259.04570304

概要

2-amino-2-deoxy-D-glucopyranose 6-phosphate is the pyranose form of D-glucosamine 6-phosphate. It is a conjugate acid of a 2-ammonio-2-deoxy-D-glucopyranose 6-phosphate(1-).

名称と識別子

優先名称: D-glucosamine 6-phosphate
IUPAC: [(2R,3S,4R,5R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

名称と別名

D-glucosamine phosphateDTXSID501343614[(2R,3S,4R,5R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate((2R,3S,4R,5R)-5-amino-3,4,6-trihydroxyoxan-2-yl)methyl dihydrogen phosphateRefChem:937714GlyTouCan:G86373MGCHEBI:12962DTXCID101772425G86373MG3616-42-0D-glucosamine 6-phosphateD-Glucose, 2-amino-2-deoxy-, 6-(dihydrogen phosphate)

名称をさらに表示

Y5ANY8MJ8JGlcN-6-Phosphate2-amino-2-deoxy-D-glucopyranose 6-phosphate6815-93-6CHEMBL3426569SCHEMBL13321929CHEBI:47987XHMJOUIAFHJHBW-IVMDWMLBSA-N

データベース識別子

PubChem CID: 440997
DTXSID: DTXSID501343614
ChEMBL: CHEMBL3426569
ChEBI: CHEBI:47987
Nikkaji: J817.413J

物性

構造計算による物性

XLogP: -6.8
極性表面積: 163 Å²
水素結合供与体数: 6
水素結合受容体数: 9
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 282

実験および物理化学的性質

Collision Cross Section · 2 件

156.6 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

160.3 Å² [M+Na]+