Name: CAP 2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219158278
Cas No:
常用名:CAP 2
别名:Cholesterol-Amino-Phosphate 2, CAP 2-4
IUPAC:bis[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl] 3-(dimethylamino)propyl phosphate hydrochloride
IUPAC:bis[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl] 3-(dimethylamino)propyl phosphate hydrochloride
InChI key:JUJVGFVJNMREHW-PXPCGCINSA-N

分子式:C59H103ClNO4P
分子量:956.9
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OP(=O)(OCCCN(C)C)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@]21[H])[C@H](C)CCCC(C)C
SMILES:Cl.[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OP(=O)(OCCCN(C)C)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@]21[H])[C@H](C)CCCC(C)C

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