Sepiapterin

CAT: 1596-AR-P03220-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P03220-06Size:250 Units

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CAS Number

17094-01-8

Synonyms

Sepiapterine; 2-Amino-7,8-dihydro-6-[ (2S) -2-hydroxy-1-oxopropyl]-4 (3H) -pteridinone; Sapropterin Impurity; L-Sepiapterin

Molecular Formula

C9H11N5O3

Molecular Weight

237.22

API Name

Sepiapterin

Chemical Information

Sepiapterin

L-sepiapterin is a sepiapterin with L configuration.

CAS Number	17094-01-8
PubChem CID	135398579
IUPAC Name	2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
Molecular Formula	C9H11N5O3
Molecular Weight	237.22
XLogP	-2
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	491

SMILES

C[C@@H](C(=O)C1=NC2=C(NC1)N=C(NC2=O)N)O

InChI

InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1

InChIKey

VPVOXUSPXFPWBN-VKHMYHEASA-N

Chemical Structure

2D Structure

CAS: 17094-01-8

CID: 135398579

Formula: C9H11N5O3

MW: 237.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.22
XLogP3	-2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	237.08618923
Monoisotopic Mass	237.08618923
Topological Polar Surface Area	129 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	491
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes