Cas no 117309-89-4 (Cytidine,5-(1-methylethyl)-, cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI))
117309-89-4 structure
Product Name:Cytidine,5-(1-methylethyl)-, cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI)
CAS No:117309-89-4
MF:C12H18N3O7P
MW:347.260983943939
CID:180990
PubChem ID:512620
Update Time:2025-04-19
Cytidine,5-(1-methylethyl)-, cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cytidine,5-(1-methylethyl)-, 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-propan-2-ylpyrimidin-2-one
- 2,7-Dihydroxy-6-[2-hydroxy-4-imino-5-(propan-2-yl)pyrimidin-1(4H)-yl]tetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
- DTXSID80922397
- 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-isopropyl-pyrimidin-2-one
- 117309-89-4
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- Inchi： 1S/C12H18N3O7P/c1-5(2)6-3-15(12(17)14-10(6)13)11-8(16)9-7(21-11)4-20-23(18,19)22-9/h3,5,7-9,11,16H,4H2,1-2H3,(H,18,19)(H2,13,14,17)/t7?,8-,9?,11-/m1/s1
- InChI Key： FHQFANLZLISRRZ-FOLWWEGKSA-N
- SMILES： P1(=O)(O)OCC2C([C@H]([C@H](N3C(N=C(C(C(C)C)=C3)N)=O)O2)O)O1
Computed Properties
- Exact Mass: 347.08834
- Monoisotopic Mass: 347.088236
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 634
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 144
- XLogP3: -2.1
Experimental Properties
- Density: 1.93
- Boiling Point: 570.8°Cat760mmHg
- Flash Point: 299°C
- Refractive Index: 1.748
- PSA: 143.91
- LogP: 0.06540
Cytidine,5-(1-methylethyl)-, cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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