Adenosine Impurity 18

CAT: 1596-AR-A05642-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05642-06Size:250 Units

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CAS Number

256643-13-7

Molecular Formula

C19H23N7O8S

Molecular Weight

C19H23N7O8S

API Name

Adenosine

Chemical Information

Tyrosyladenylate

CAS Number	256643-13-7
PubChem CID	449029
IUPAC Name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate
Molecular Formula	C19H23N7O8S
Molecular Weight	509.5
XLogP	-2.1
Topological Polar Surface Area	246
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	35
Formal Charge	0
Complexity	840

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N)O

InChI

InChI=1S/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1

InChIKey

MJZAZMKENKZBAJ-QTOWJTHWSA-N

Chemical Structure

2D Structure

CAS: 256643-13-7

CID: 449029

Formula: C19H23N7O8S

MW: 509.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	509.5
XLogP3	-2.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	509.13288189
Monoisotopic Mass	509.13288189
Topological Polar Surface Area	246 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	840
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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 18

Chemical Information

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