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Fosteabine 5mg

CAT: 0628-A12626-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12626-5Size:5 mg
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CAS Number
73532-83-9

Chemical Information

Cytarabine ocfosfate

Cytarabine ocfosphate is a pyrimidine ribonucleoside monophosphate.

CAS Number73532-83-9
PubChem CID23671562
IUPAC Namesodium [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octadecyl phosphate
Molecular FormulaC27H49N3NaO8P
Molecular Weight597.7
Topological Polar Surface Area167
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count22
Heavy Atom Count40
Formal Charge0
Complexity819
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O.[Na+]
InChI
InChI=1S/C27H50N3O8P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36-39(34,35)37-21-22-24(31)25(32)26(38-22)30-19-18-23(28)29-27(30)33;/h18-19,22,24-26,31-32H,2-17,20-21H2,1H3,(H,34,35)(H2,28,29,33);/q;+1/p-1/t22-,24-,25+,26-;/m1./s1
InChIKey
JOJYUFGTMHSFEE-YONYXQDTSA-M
Chemical Structure
2D Structure
2D structure of Cytarabine ocfosfate
CAS: 73532-83-9
CID: 23671562
Formula: C27H49N3NaO8P
MW: 597.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count22
Exact Mass597.31549681
Monoisotopic Mass597.31549681
Topological Polar Surface Area167 Ų
Heavy Atom Count40
Formal Charge0
Complexity819
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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