Cas no 143441-78-5 ((6R,8S)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one)
![(6R,8S)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one structure](https://ossimg.kuujia.com/scimg/143500/143441-78-5x500.png)
143441-78-5 structure
Product Name:(6R,8S)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
CAS No:143441-78-5
MF:C14H19N5O5
MW:337.331162691116
CID:1316955
PubChem ID:178714
Update Time:2024-03-01
(6R,8S)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one Chemical and Physical Properties
Names and Identifiers
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- (6R,8S)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
- Pyrimido[1,2-a]purin-10(3H)-one, 3-(2-deoxy-β-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-8-hydroxy-6-methyl-, (6R,8S)-
-
- Inchi： 1S/C14H19N5O5/c1-6-2-9(22)19-13(23)11-12(17-14(19)16-6)18(5-15-11)10-3-7(21)8(4-20)24-10/h5-10,20-22H,2-4H2,1H3,(H,16,17)/t6-,7+,8-,9+,10-/m1/s1
- InChI Key： DKBDYPZFCQIHPX-MQIGXGKASA-N
- SMILES： O1[C@H](CO)[C@H](C[C@@H]1N1C=NC2C(N3C(=NC1=2)N[C@H](C)C[C@@H]3O)=O)O
Computed Properties
- Exact Mass: 337.13861872g/mol
- Monoisotopic Mass: 337.13861872g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 560
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 132?2
(6R,8S)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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