(2S,3R,4R,5S,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

HCID 11274101

기본 정보

표준 SMILES
NC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
SBUJHOSQTJFQJX-KSACQAOKSA-N
분자식
C18H36N4O11
평균 분자량
484.5 g/mol

개요

(1beta)-2alpha-(6-Amino-6-deoxy-alpha-L-glucopyranosyloxy)-6alpha-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-3beta,5beta-diaminocyclohexanol has been reported in Streptomyces hawaiiensis with data available.

이름 및 식별자

우선 이름
(2S,3R,4R,5S,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
IUPAC
(2S,3R,4R,5S,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

이름 및 동의어

CHEMBL223520SCHEMBL29470826SBUJHOSQTJFQJX-KSACQAOKSA-N

데이터베이스 식별자

PubChem CID
11274101
ChEMBL
CHEMBL223520
Nikkaji
J2.464.201A

물성

구조 계산 물성

XLogP
-6.9
극성 표면적
283 Ų
수소 결합 공여자 수
11
수소 결합 수용자 수
15
회전 가능 결합 수
6
무거운 원자 수
33

관련 반응

9건

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