Adenosine Impurity 3

CAT: 1596-AR-A05629-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05629-03Size:50 Units

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CAS Number

3805-37-6

Molecular Formula

C10H15N5O10P2

Molecular Weight

427.20

API Name

Adenosine

Chemical Information

A2P5P

CAS Number	3805-37-6
PubChem CID	440141
IUPAC Name	[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular Formula	C10H15N5O10P2
Molecular Weight	427.20
XLogP	-4.6
Topological Polar Surface Area	233
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	631

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1

InChIKey

AEOBEOJCBAYXBA-KQYNXXCUSA-N

Chemical Structure

2D Structure

CAS: 3805-37-6

CID: 440141

Formula: C10H15N5O10P2

MW: 427.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	427.20
XLogP3	-4.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Exact Mass	427.02941569
Monoisotopic Mass	427.02941569
Topological Polar Surface Area	233 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	631
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Adenosine Impurity 3

Chemical Information

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