Cas no 143480-90-4 (SDZ-WAG-994 sesquihydrate)
SDZ-WAG-994 sesquihydrate structure
Product Name:SDZ-WAG-994 sesquihydrate
CAS No:143480-90-4
MF:C34H56N10O11
MW:780.868847846985
CID:2776217
Update Time:2023-08-07
SDZ-WAG-994 sesquihydrate Chemical and Physical Properties
Names and Identifiers
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- 0LL796AO8Y
- Adenosine, N-cyclohexyl-2'-O-methyl-, hydrate (2:3)
- N-Cyclohexyl-2'-O-methyl-Adenosine hydrate(2:3)
- Q27236942
- SDZ-WAG-994 sesquihydrate
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- Inchi： 1S/2C17H25N5O4.3H2O/c2*1-25-14-13(24)11(7-23)26-17(14)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-2-4-6-10;;;/h2*8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21);3*1H2/t2*11-,13-,14-,17-;;;/m11.../s1
- InChI Key： PQNUNCWWHZHWNC-XLZUVWGRSA-N
- SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC=NC1=2)NC1CCCCC1)OC)O.O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC=NC1=2)NC1CCCCC1)OC)O.O.O.O
Computed Properties
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 55
- Rotatable Bond Count: 10
- Complexity: 466
- Topological Polar Surface Area: 232
SDZ-WAG-994 sesquihydrate Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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