Cas no 130252-71-0 (2(1H)-Pyrimidinone, 1-b-D-arabinofuranosyl-4-(9-octadecenylamino)-,(Z)- (9CI))
130252-71-0 structure
Product Name:2(1H)-Pyrimidinone, 1-b-D-arabinofuranosyl-4-(9-octadecenylamino)-,(Z)- (9CI)
CAS No:130252-71-0
MF:C27H47N3O5
MW:493.679188013077
CID:206039
PubChem ID:6441229
Update Time:2025-04-19
2(1H)-Pyrimidinone, 1-b-D-arabinofuranosyl-4-(9-octadecenylamino)-,(Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Pyrimidinone, 1-b-D-arabinofuranosyl-4-(9-octadecenylamino)-,(Z)- (9CI)
- 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(Z)-octadec-9-enyl]amino]pyrimidin-2-one
- N(4)-oleylcytosine arabinoside
- (Z)-1-beta-D-Arabinofuranosyl-4-(9-otadecenylamino)-2(1H)-pyrimidinone
- 1-beta-D-arabinofuranosyl-4-[(9Z)-octadec-9-en-1-ylamino]pyrimidin-2(1H)-one
- 2(1H)-Pyrimidinone, 1-beta-D-arabinofuranosyl-4-(9-otadecenylamino)-, (Z)-
- NOAC
- 130252-71-0
-
- Inchi： 1S/C27H47N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-23-18-20-30(27(34)29-23)26-25(33)24(32)22(21-31)35-26/h9-10,18,20,22,24-26,31-33H,2-8,11-17,19,21H2,1H3,(H,28,29,34)/b10-9-/t22-,24-,25+,26-/m1/s1
- InChI Key： LHEGPXCSOZGQCV-AXQAKGHFSA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H]([C@@H]1N1C(N=C(C=C1)NCCCCCCCC/C=C\CCCCCCCC)=O)O)O
Computed Properties
- Exact Mass: 493.35181
- Monoisotopic Mass: 493.351572
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 19
- Complexity: 682
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 115
Experimental Properties
- Density: 1.16
- Boiling Point: 655.1°Cat760mmHg
- Flash Point: 350°C
- Refractive Index: 1.556
- PSA: 114.62
2(1H)-Pyrimidinone, 1-b-D-arabinofuranosyl-4-(9-octadecenylamino)-,(Z)- (9CI) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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