Cas no 55726-42-6 (1-(beta-D-arabinofuranosyl)-4-(dodecanoylamino)pyrimidin-2(1H)-one)
55726-42-6 structure
Product Name:1-(beta-D-arabinofuranosyl)-4-(dodecanoylamino)pyrimidin-2(1H)-one
CAS No:55726-42-6
MF:C21H35N3O6
MW:425.519106149673
CID:944416
PubChem ID:317642
Update Time:2025-04-19
1-(beta-D-arabinofuranosyl)-4-(dodecanoylamino)pyrimidin-2(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(beta-D-arabinofuranosyl)-4-(dodecanoylamino)pyrimidin-2(1H)-one
- 1-β-D-Arabinofuranosyl-4-lauroylaminopyrimidin-2(1H)-one
- Dodecanamide, N-(1.β.-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
- AraCMP
- ara-cytidine 5'-monophosphate
- Aracytidine 5'-monophosphate
- Aracytidine 5'-phosphate
- CAR
- Cytarabine 5'-monophosphate
- Cytarabine monophosphate
- cytarabine monophostate
- CYTOSINE ARABINOSE-5'-PHOSPHATE
- Cytosine arabinoside 5'MP
- Cytosine arabinoside monophosphate
- NSC-250686
- Dodecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-
- 4-(Dodecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol
- NSC250686
- CHEMBL1978256
- DTXSID10971095
- NCI60_001998
- Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-lauroyl-
- SCHEMBL23433256
- 1-beta-D-Arabinofuranosyl-4-lauroylaminopyrimidin-2(1H)-one
- 55726-42-6
-
- Inchi： 1S/C21H35N3O6/c1-2-3-4-5-6-7-8-9-10-11-17(26)22-16-12-13-24(21(29)23-16)20-19(28)18(27)15(14-25)30-20/h12-13,15,18-20,25,27-28H,2-11,14H2,1H3,(H,22,23,26,29)
- InChI Key： DIQMOLNTZYUDBX-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C(N=C(C=C1)NC(CCCCCCCCCCC)=O)=O)O)O
Computed Properties
- Exact Mass: 425.25300
- Monoisotopic Mass: 425.25258584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 13
- Complexity: 624
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 133.91000
- LogP: 1.78720
1-(beta-D-arabinofuranosyl)-4-(dodecanoylamino)pyrimidin-2(1H)-one Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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