Cas no 55726-49-3 (9-Octadecenamide, N-(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-,(9Z)-)
55726-49-3 structure
Product Name:9-Octadecenamide, N-(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-,(9Z)-
CAS No:55726-49-3
MF:C27H45N3O6
MW:507.662708044052
CID:369150
PubChem ID:5476655
Update Time:2025-04-19
9-Octadecenamide, N-(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-,(9Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenamide, N-(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-,(9Z)-
- N(4)-oleoyl cytarabine
- SCHEMBL20809944
- 55726-49-3
- NSC-250687
- 9-Octadecenamide,2-dihydro-2-oxo-4-pyrimidinyl)-, (Z)-
- (E)-N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octadec-9-enamide
- NSC250687
-
- Inchi： 1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)28-22-18-19-30(27(35)29-22)26-25(34)24(33)21(20-31)36-26/h9-10,18-19,21,24-26,31,33-34H,2-8,11-17,20H2,1H3,(H,28,29,32,35)/b10-9+
- InChI Key： CDONIXJIKOVUIH-MDZDMXLPSA-N
- SMILES： O1C(C(C(C1CO)O)O)N1C(N=C(C=C1)NC(CCCCCCC/C=C/CCCCCCCC)=O)=O
Computed Properties
- Exact Mass: 507.33083616g/mol
- Monoisotopic Mass: 507.33083616g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 36
- Rotatable Bond Count: 18
- Complexity: 754
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 132?2
9-Octadecenamide, N-(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-,(9Z)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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