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설퍼마이신G

1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1alpha,2-beta,4-beta))-

HCID 174338
노트반응
기본 정보개요이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
83753-81-5
표준 SMILES
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]4CC[C@H](O[C@H]5CC[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)O2)C[C@]1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O
InChIKey
MLUQAMZHTPPIHO-SOBIJWGVSA-N
분자식
C43H55NO15
평균 분자량
825.9 g/mol
단동위원소 질량
825.35717005

개요

Sulfurmycin G has been reported in Streptomyces galilaeus and Streptomyces bobili with data available.

이름 및 식별자

우선 이름
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1alpha,2-beta,4-beta))-
IUPAC
methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
현지명
설퍼마이신G
영어명
sulfurmycin G
분자식
C43H55NO15
분자량
825.89

이름 및 동의어

1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1alpha,2-beta,4-beta))-DTXSID301003793Methyl (1R,2S,4S)-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-({2,3,6-trideoxy-3-(dimethylamino)-4-O-[(2S,5S,6S)-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-alpha-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateMethyl 2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-trideoxy-3-(dimethylamino)-4-O-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate설퍼마이신Gsulfurmycin G1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-[[2,3,6-trideoxy-3-(dimethylamino)-4-O-[(2S,5S,6S)-tetrahydro-6-methyl-5-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2S,...

데이터베이스 식별자

CAS
83753-81-5
PubChem CID
174338
DTXSID
DTXSID301003793
Nikkaji
J133.836F

물성

구조 계산 물성

XLogP
3.5
극성 표면적
217 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
16
회전 가능 결합 수
11
무거운 원자 수
59
형식 전하
0
복잡도
1,550

물리화학적 성질

끓는 점
897.3 · 897.3±65.0 °C(Predicted)
밀도
1.4 · 1.40±0.1 g/cm3(Predicted)
산도 계수 (pKa)
6.34 · 6.34±0.70(Predicted)

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