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Carbovir-13C,d2

CAT: 0572-TRC-C177742-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C177742-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246816-59-0
Synonyms
rel-2-Amino-1,9-dihydro-9-[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-6H-purin-6-one-13C,d2; (+/-)-Carbovir-13C,d2; cis-Carbovir-13C,d2; GR 90352X-13C,d2; NSC 614846-13C,d2;
Hazard Statement
No Data Available
Smiles
O=C(N=C(N)N1)C2=C1N([C@H]3C=C[C@@H](C([2H])([2H])O)C3)[13CH]=N2
Molecular Formula
C1013CH11D2N5O2
Molecular Weight
250.26
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Carbovir-13C,d2
CAS Number1246816-59-0
PubChem CID136257827
IUPAC Name2-amino-9-[4-[dideuterio(hydroxy)methyl]cyclopent-2-en-1-yl]-1H-purin-6-one
Molecular FormulaC11H13N5O2
Molecular Weight250.26
XLogP-0.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity422
SMILES
[2H]C([2H])(C1CC(C=C1)N2[13CH]=NC3=C2N=C(NC3=O)N)O
InChI
InChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/i4D2,5+1
InChIKey
XSSYCIGJYCVRRK-TTYOAZMQSA-N
Chemical Structure
2D Structure
2D structure of Carbovir-13C,d2
CAS: 1246816-59-0
CID: 136257827
Formula: C11H13N5O2
MW: 250.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.26
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass250.12283300
Monoisotopic Mass250.12283300
Topological Polar Surface Area106 Ų
Heavy Atom Count18
Formal Charge0
Complexity422
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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