Rhodamine-phalloidin
Rhodamine-phalloidin · CAS 915013-10-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Rhodamine-phalloidin
- CAS
- 915013-10-4
- CID
- 44140594
- IUPAC 名称
- (3E)-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]-3-[[(2R)-2-hydroxy-3-[(1S,14R,18S,20S,23S,28S,31S,34R)-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]-2-methylpropyl]carbamothioylimino]cyclohexa-1,4-diene-1-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Rhodamine-phalloidin
- CAS
- 915013-10-4
- CID
- 44140594
- IUPAC 名称
- (3E)-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]-3-[[(2R)-2-hydroxy-3-[(1S,14R,18S,20S,23S,28S,31S,34R)-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]-2-methylpropyl]carbamothioylimino]cyclohexa-1,4-diene-1-carboxylic acid
分子属性
- 分子式
- C60H70N12O13S2
- 分子量
- 1231.4 g/mol
- 精确质量
- 1230.46267268 Da
- 单同位素质量
- 1230.46267268 Da
- XLogP
- 2.3
- 极性表面积
- 406 Ų
- 氢键供体
- 12
- 氢键受体
- 17
- 可旋转键
- 8
- 重原子数
- 87
- 净电荷
- 0
- 结构复杂度
- 2780
结构标识
- InChIKey
- VXNOAAMNRGBZOQ-RUTQKCGOSA-N
- SMILES
- C[C@H]1C(=O)N[C@H]2CC3=C(NC4=CC=CC=C34)SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C[C@](C)(CNC(=S)/N=C/6\C=CC(=C7C8=C(C=C(C=C8)N(C)C)OC9=C7C=CC(=C9)N(C)C)C(=C6)C(=O)O)O)C)[C@H](C)O
- InChI
- InChI=1S/C60H70N12O13S2/c1-28-50(75)65-42-23-39-35-11-9-10-12-41(35)68-56(39)87-26-44(57(81)72-25-34(74)22-45(72)54(79)63-28)67-55(80)49(30(3)73)69-51(76)29(2)62-53(78)43(66-52(42)77)24-60(4,84)27-61-59(86)64-31-13-16-36(40(19-31)58(82)83)48-37-17-14-32(70(5)6)20-46(37)85-47-21-33(71(7)8)15-18-38(47)48/h9-21,28-30,34,42-45,49,68,73-74,84H,22-27H2,1-8H3,(H,61,86)(H,62,78)(H,63,79)(H,65,75)(H,66,77)(H,67,80)(H,69,76)(H,82,83)/b64-31+/t28-,29-,30-,34-,42-,43-,44-,45-,49+,60+/m0/s1