Cas no 117309-91-8 (Cytidine, 5-butyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI))

Cytidine, 5-butyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI) structure
117309-91-8 structure
Product Name:Cytidine, 5-butyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI)
CAS No:117309-91-8
MF:C13H20N3O7P
MW:361.287564277649
CID:214552
PubChem ID:512622
Update Time:2025-04-19

Cytidine, 5-butyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cytidine, 5-butyl-,cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI)
    • 4-amino-5-butyl-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one
    • 6-(5-Butyl-2-hydroxy-4-iminopyrimidin-1(4H)-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
    • DTXSID00922399
    • 5-n-Butylcytidine 3',5'-cyclic monophosphate
    • 117309-91-8
    • Inchi： 1S/C13H20N3O7P/c1-2-3-4-7-5-16(13(18)15-11(7)14)12-9(17)10-8(22-12)6-21-24(19,20)23-10/h5,8-10,12,17H,2-4,6H2,1H3,(H,19,20)(H2,14,15,18)/t8?,9-,10?,12-/m1/s1
    • InChI Key： CRAQVGQJWSIGOT-LCLYSXEGSA-N
    • SMILES： P1(=O)(O)OCC2C([C@H]([C@H](N3C(N=C(C(CCCC)=C3)N)=O)O2)O)O1

Computed Properties

  • Exact Mass: 361.104
  • Monoisotopic Mass: 361.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 637
  • 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
  • XLogP3: -1.4
  • Topological Polar Surface Area: 144?2

Experimental Properties

  • Density: 1.83
  • Boiling Point: 582.6°Cat760mmHg
  • Flash Point: 306.1°C
  • Refractive Index: 1.722
  • PSA: 143.91
  • LogP: 0.28460

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(CAS:117309-91-8)Cytidine, 5-butyl-, cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI)
Order Number:NC19463
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:18
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NewCan Biotech Limited
(CAS:117309-91-8)Cytidine, 5-butyl-, cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI)
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Purity:97%
Quantity:10g
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