N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide

HCID 558756
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基本情報

標準SMILES
CC(=O)NC1C(Oc2ccc([N+](=O)[O-])cc2)OC(CO)C(O)C1O
InChIKey
OMRLTNCLYHKQCK-UHFFFAOYSA-N
分子式
C14H18N2O8
平均分子量
342.3 g/mol
単同位体質量
342.10631554

名称と識別子

優先名称
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
IUPAC
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide

名称と別名

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide1094828-82-6a-D-Galactoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-50645-66-4p-Nitrophenyl-N-acetyl-beta-D-glucosaminideN-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-2H-3,4,5,6-tetrahydropyr an-3-yl]acetamideOprea1_251816SCHEMBL12302577N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydropyran-3-yl]acetamideOMRLTNCLYHKQCK-UHFFFAOYSA-NN-[(2S,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydropyran-3-yl]acetamideN-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydropyran-3-yl]acetamide
名称をさらに表示
SBB012565STK895110ZINC02150875AKOS001204870AKOS016302495SB48291N-(4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamideUPCMLD0ENAT5509619:001

データベース識別子

PubChem CID
558756
Nikkaji
J3.706.743A

物性

構造計算による物性

XLogP
-0.4
極性表面積
154 Ų
水素結合供与体数
4
水素結合受容体数
8
回転可能結合数
4
重原子数
24

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