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3`-Deoxy-5`-thymidylic Acid

CAT: 0572-TRC-D281778-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D281778-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3715-64-8
Synonyms
3`-Deoxy-5`-thymidylic Acid
Hazard Statement
No Data Available
Smiles
CC1=CN([C@H]2CC[C@@H](COP(=O)(O)O)O2)C(=O)NC1=O
Molecular Formula
C10 H15 N2 O7 P
Molecular Weight
306.209
InChI
InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
Additionnal Information
IUPAC name: [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Shipping Conditions
Room Temperature

Chemical Information

2',3'-Dideoxythymidine-5'-Monophosphate
CAS Number3715-64-8
PubChem CID165151
IUPAC Name[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Molecular FormulaC10H15N2O7P
Molecular Weight306.21
XLogP-2.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity500
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O
InChI
InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKey
WVNRRNJFRREKAR-JGVFFNPUSA-N
Chemical Structure
2D Structure
2D structure of 2',3'-Dideoxythymidine-5'-Monophosphate
CAS: 3715-64-8
CID: 165151
Formula: C10H15N2O7P
MW: 306.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.21
XLogP3-2.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass306.06168782
Monoisotopic Mass306.06168782
Topological Polar Surface Area125 Ų
Heavy Atom Count20
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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