Cas no 117309-94-1 (Cytidine, 5-octyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI))
117309-94-1 structure
Product Name:Cytidine, 5-octyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI)
CAS No:117309-94-1
MF:C16H26N3O7P
MW:403.367305278778
CID:196627
PubChem ID:512625
Update Time:2025-04-19
Cytidine, 5-octyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cytidine, 5-octyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI)
- 4-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-heptylpyrimidin-2-one
- 117309-94-1
- 6-(5-Heptyl-2-hydroxy-4-iminopyrimidin-1(4H)-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
- DTXSID70922402
- 4-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-heptyl-pyrimidin-2-one
-
- Inchi： 1S/C16H26N3O7P/c1-2-3-4-5-6-7-10-8-19(16(21)18-14(10)17)15-12(20)13-11(25-15)9-24-27(22,23)26-13/h8,11-13,15,20H,2-7,9H2,1H3,(H,22,23)(H2,17,18,21)/t11?,12-,13?,15-/m1/s1
- InChI Key： AUUXQIVNYSIYOR-HNQLUHSGSA-N
- SMILES： P1(=O)(O)OCC2C([C@H]([C@H](N3C(N=C(C(CCCCCCC)=C3)N)=O)O2)O)O1
Computed Properties
- Exact Mass: 403.15098
- Monoisotopic Mass: 403.151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 683
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 144A^2
- XLogP3: 0.2
Experimental Properties
- Density: 1.64
- Boiling Point: 600.3°Cat760mmHg
- Flash Point: 316.8°C
- Refractive Index: 1.672
- PSA: 143.91
- LogP: 1.45490
Cytidine, 5-octyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI) Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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