LysRs-IN-1

CAT: 0607-BA7171-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7171-10Size:10 mg

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

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CAS Number

281676-77-5

Form

A solid

Molecular Formula

C7H7N5O3

Molecular Weight

209.16

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)acetic acid

CAS Number	281676-77-5
PubChem CID	135731675
IUPAC Name	2-(2-amino-6-oxo-1H-purin-9-yl)acetic acid
Molecular Formula	C7H7N5O3
Molecular Weight	209.16
XLogP	-1.4
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	342

SMILES

C1=NC2=C(N1CC(=O)O)N=C(NC2=O)N

InChI

InChI=1S/C7H7N5O3/c8-7-10-5-4(6(15)11-7)9-2-12(5)1-3(13)14/h2H,1H2,(H,13,14)(H3,8,10,11,15)

InChIKey

PJFWBSLAJQMJJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 281676-77-5

CID: 135731675

Formula: C7H7N5O3

MW: 209.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.16
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	209.05488910
Monoisotopic Mass	209.05488910
Topological Polar Surface Area	123 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes