Censavudine

CAT: 0607-BA1927-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1927-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

634907-30-5

Form

A solid

Molecular Formula

C12H12N2O4

Molecular Weight

248.23

Shipping Conditions

Blue ice

Storage Conditions

Tightly sealed and desiccated at 4°C.

Chemical Information

2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine

Censavudine has been used in trials studying the treatment of HIV-1 Infection.

CAS Number	634907-30-5
PubChem CID	3008897
IUPAC Name	1-[(2R,5R)-5-ethynyl-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Formula	C12H12N2O4
Molecular Weight	248.23
XLogP	-0.7
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	513

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@](O2)(CO)C#C

InChI

InChI=1S/C12H12N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h1,4-6,9,15H,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1

InChIKey

OSYWBJSVKUFFSU-SKDRFNHKSA-N

Chemical Structure

2D Structure

CAS: 634907-30-5

CID: 3008897

Formula: C12H12N2O4

MW: 248.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.23
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	248.07970687
Monoisotopic Mass	248.07970687
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes