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API-1 200mg

CAT: 0628-A22093-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A22093-200Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36707-00-3

Chemical Information

Nsc177223

structure in first source

CAS Number36707-00-3
PubChem CID24773090
IUPAC Name4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC13H15N5O6
Molecular Weight337.29
XLogP-1.9
Topological Polar Surface Area185
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity571
SMILES
C1=C(C(=O)C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N
InChI
InChI=1S/C13H15N5O6/c14-10-6-7(20)4(11(15)23)1-18(12(6)17-3-16-10)13-9(22)8(21)5(2-19)24-13/h1,3,5,8-9,13,19,21-22H,2H2,(H2,15,23)(H2,14,16,17)/t5-,8-,9-,13-/m1/s1
InChIKey
SPBWHPXCWJLQRU-FITJORAGSA-N
Chemical Structure
2D Structure
2D structure of Nsc177223
CAS: 36707-00-3
CID: 24773090
Formula: C13H15N5O6
MW: 337.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.29
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass337.10223322
Monoisotopic Mass337.10223322
Topological Polar Surface Area185 Ų
Heavy Atom Count24
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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