Cas no 55726-44-8 (1-(beta-D-arabinofuranosyl)-4-(octadecanoylamino)pyrimidin-2(1H)-one)
55726-44-8 structure
Product Name:1-(beta-D-arabinofuranosyl)-4-(octadecanoylamino)pyrimidin-2(1H)-one
CAS No:55726-44-8
MF:C27H47N3O6
MW:509.678588151932
CID:944417
PubChem ID:304673
Update Time:2025-04-19
1-(beta-D-arabinofuranosyl)-4-(octadecanoylamino)pyrimidin-2(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(beta-D-arabinofuranosyl)-4-(octadecanoylamino)pyrimidin-2(1H)-one
- 1-β-D-Arabinofuranosyl-4-stearoylaminopyrimidin-2(1H)-one
- Octadecanamide, N-(1-.β.-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
- AC1L71HF
- CTK0I1923
- N-hydroxycytidine
- NSC529856
- DTXSID70971096
- NCI60_001669
- CHEMBL2001204
- Octadecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-
- 55726-44-8
- Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-stearoyl-
- NSC201290
- NSC-201290
- SCHEMBL20809913
- 4-(Octadecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol
-
- Inchi： 1S/C27H47N3O6/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/h18-19,21,24-26,31,33-34H,2-17,20H2,1H3,(H,28,29,32,35)
- InChI Key： ATYCGJJMRABBKG-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C(N=C(C=C1)NC(CCCCCCCCCCCCCCCCC)=O)=O)O)O
Computed Properties
- Exact Mass: 509.34600
- Monoisotopic Mass: 509.34648623g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 36
- Rotatable Bond Count: 19
- Complexity: 714
- 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: 7.1
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 133.91000
- LogP: 4.12780
1-(beta-D-arabinofuranosyl)-4-(octadecanoylamino)pyrimidin-2(1H)-one Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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