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Unii-9P30PF804H

HCID 56843929
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기본 정보이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
1228284-45-4
표준 SMILES
Cc1cn([C@H]2CNC[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N5CCNCC5)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9C[C@@H](COP(=O)(N%10CCNCC%10)N%10C[C@@H](COP(=O)(N(C)C)N%11C[C@@H](COP(=O)(N(C)C)N%12C[C@@H](COP(=O)(N(C)C)N%13C[C@@H](COP(=O)(N(C)C)N%14C[C@@H](COP(=O)(N(C)C)N%15C[C@@H](COP(=O)(N(C)C)N%16C[C@@H](COP(=O)(N(C)C)N%17C[C@@H](COP(=O)(N%18CCNCC%18)N%18C[C@@H](COP(=O)(N(C)C)N%19C[C@@H](COP(=O)(N(C)C)N%20C[C@@H](COP(=O)(N(C)C)N%21C[C@@H](COP(=O)(N(C)C)N%22CCN(C(=O)OCCOCCOCCO)CC%22)O[C@@H](n%22ccc(N)nc%22=O)C%21)O[C@@H](n%21cnc%22c(=O)[nH]c(N)nc%22%21)C%20)O[C@@H](n%20cnc%21c(=O)[nH]c(N)nc%21%20)C%19)O[C@@H](n%19cc(C)c(=O)[nH]c%19=O)C%18)O[C@@H](n%18cc(C)c(=O)[nH]c%18=O)C%17)O[C@@H](n%17cnc%18c(N)ncnc%18%17)C%16)O[C@@H](n%16cnc%17c(=O)[nH]c(N)nc%17%16)C%15)O[C@@H](n%15cnc%16c(N)ncnc%16%15)C%14)O[C@@H](n%14cnc%15c(N)ncnc%15%14)C%13)O[C@@H](n%13cnc%14c(=O)[nH]c(N)nc%14%13)C%12)O[C@@H](n%12cnc%13c(N)ncnc%13%12)C%11)O[C@@H](n%11ccc(N)nc%11=O)C%10)O[C@@H](n%10cc(C)c(=O)[nH]c%10=O)C9)O[C@@H](n9ccc(N)nc9=O)C8)O[C@@H](n8cnc9c(N)ncnc98)C7)O[C@@H](n7cc(C)c(=O)[nH]c7=O)C6)O[C@@H](n6ccc(N)nc6=O)C5)O[C@@H](n5cc(C)c(=O)[nH]c5=O)C4)O[C@@H](n4cc(C)c(=O)[nH]c4=O)C3)O2)c(=O)[nH]c1=O
InChIKey
UGGITRSRFHZMKU-WEIZIPMPSA-N
분자식
C253H398N116O87P20
평균 분자량
7,076 g/mol
단동위원소 질량
7,072.503759

이름 및 식별자

우선 이름
Unii-9P30PF804H
IUPAC
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-piperazin-1-ylphosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-piperazin-1-ylphosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-piperazin-1-ylphosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate

이름 및 동의어

Radavirsen [USAN:INN]UNII-9P30PF804HAVI 7100SCHEMBL29395693

데이터베이스 식별자

CAS
1228284-45-4
PubChem CID
56843929

물성

구조 계산 물성

XLogP
-31.8
극성 표면적
2,230 Ų
수소 결합 공여자 수
29
수소 결합 수용자 수
159
회전 가능 결합 수
129
무거운 원자 수
476
형식 전하
0
복잡도
20,900

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