Cas no 100550-99-0 (1H-Purinium,2-amino-7-(2-chloroethyl)-6,9-dihydro-6-oxo-9-b-D-ribofuranosyl- (9CI))
100550-99-0 structure
Product Name:1H-Purinium,2-amino-7-(2-chloroethyl)-6,9-dihydro-6-oxo-9-b-D-ribofuranosyl- (9CI)
CAS No:100550-99-0
MF:C12H17ClN5O5
MW:346.746881246567
CID:203844
PubChem ID:135743936
Update Time:2025-04-19
1H-Purinium,2-amino-7-(2-chloroethyl)-6,9-dihydro-6-oxo-9-b-D-ribofuranosyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Purinium,2-amino-7-(2-chloroethyl)-6,9-dihydro-6-oxo-9-b-D-ribofuranosyl- (9CI)
- 100550-99-0
- 7-(2-Chloroethyl)-6-hydroxy-2-imino-9-pentofuranosyl-3,9-dihydro-2H-purin-7-ium
- DTXSID70905578
- 1H-Purinium, 2-amino-7-(2-chloroethyl)-6,9-dihydro-6-oxo-9-beta-D-ribofuranosyl-
- 7-(2-Chloroethyl)guanosine
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- Inchi： 1S/C12H16ClN5O5/c13-1-2-17-4-18(9-6(17)10(22)16-12(14)15-9)11-8(21)7(20)5(3-19)23-11/h4-5,7-8,11,19-21H,1-3H2,(H2-,14,15,16,22)/p+1/t5-,7-,8-,11-/m1/s1
- InChI Key： IPYMROQGHBTXLT-IOSLPCCCSA-O
- SMILES： ClCCN1C2C(NC(N)=NC=2[N+](=C1)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)=O
Computed Properties
- Exact Mass: 346.091821g/mol
- Monoisotopic Mass: 346.091821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 508
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 346.75g/mol
- XLogP3: -1.2
- Topological Polar Surface Area: 146?2
1H-Purinium,2-amino-7-(2-chloroethyl)-6,9-dihydro-6-oxo-9-b-D-ribofuranosyl- (9CI) Related Literature
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
100550-99-0 (1H-Purinium,2-amino-7-(2-chloroethyl)-6,9-dihydro-6-oxo-9-b-D-ribofuranosyl- (9CI)) Related Products
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