(2R,3R,4S,5R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

HCID 70685100

기본 정보

표준 SMILES
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@@H]3O[C@H](CN)[C@H](O)[C@@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O
InChIKey
PGBHMTALBVVCIT-JMABJWDWSA-N
분자식
C23H46N6O13
평균 분자량
614.6 g/mol
단동위원소 질량
614.31228554

이름 및 식별자

우선 이름
(2R,3R,4S,5R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
IUPAC
(2R,3R,4S,5R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

이름 및 동의어

PGBHMTALBVVCIT-JMABJWDWSA-N

데이터베이스 식별자

PubChem CID
70685100

물성

구조 계산 물성

XLogP
-9
극성 표면적
353 Ų
수소 결합 공여자 수
13
수소 결합 수용자 수
19
회전 가능 결합 수
9
무거운 원자 수
42

관련 반응

1건

화합물 노트

불러오는 중…