DZ2002 50mg

CAT: 0628-A20912-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20912-50Size:50 mg

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

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CAS Number

33231-14-0

Chemical Information

9H-Purine-9-butanoic acid, 6-amino-alpha-hydroxy-, methyl ester

CAS Number	33231-14-0
PubChem CID	11658872
IUPAC Name	methyl 4-(6-aminopurin-9-yl)-2-hydroxybutanoate
Molecular Formula	C10H13N5O3
Molecular Weight	251.24
XLogP	-0.5
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	303

SMILES

COC(=O)C(CCN1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C10H13N5O3/c1-18-10(17)6(16)2-3-15-5-14-7-8(11)12-4-13-9(7)15/h4-6,16H,2-3H2,1H3,(H2,11,12,13)

InChIKey

HNKGMGPCSSJYOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33231-14-0

CID: 11658872

Formula: C10H13N5O3

MW: 251.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.24
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	251.10183929
Monoisotopic Mass	251.10183929
Topological Polar Surface Area	116 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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