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

HCID 558756
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기본 정보

표준 SMILES
CC(=O)NC1C(Oc2ccc([N+](=O)[O-])cc2)OC(CO)C(O)C1O
InChIKey
OMRLTNCLYHKQCK-UHFFFAOYSA-N
분자식
C14H18N2O8
평균 분자량
342.3 g/mol
단동위원소 질량
342.10631554

이름 및 식별자

우선 이름
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

이름 및 동의어

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
이름 더 보기
SBB012565STK895110ZINC02150875AKOS001204870AKOS016302495SB48291N-(4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamideUPCMLD0ENAT5509619:001

데이터베이스 식별자

PubChem CID
558756
Nikkaji
J3.706.743A

물성

구조 계산 물성

XLogP
-0.4
극성 표면적
154 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
24

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