Sepiapterin

C9H11N5O3 — CID 135398579

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IUPAC2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
SMILESC[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=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
InChIKeyVPVOXUSPXFPWBN-VKHMYHEASA-N
MW237.22 g/mol
LogP-1.20
Rot. Bonds2

About Sepiapterin

Sepiapterin (PubChem CID 135398579) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound NameSepiapterin
PubChem CID135398579
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
SMILESC[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=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
InChIKeyVPVOXUSPXFPWBN-VKHMYHEASA-N
XLogP-1.20
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

7,8-Dihydro-L-biopterin
CID 135398687
6-Lactoyltetrahydropterin
CID 135398702
a 7,8-Dihydrobiopterin
CID 135402011
2-amino-6-lactoyl-7,8-dihydropteridin-4(3H)-one
CID 135433595
(S)-xanthopterin-B2
CID 163189055
L-threo-7,8-Dihydrobiopterin
CID 135407943
(6R)-6-lactoyl-5,6,7,8-tetrahydropterin
CID 135886626
Isosepiapterin
CID 135703419
D-erythro-7,8-dihydrobiopterin
CID 135476776
2-Amino-6-((2S)-2,3-dihydroxy-1-oxopropyl)-7,8-dihydro-4(1H)-pteridinone
CID 135618590
6-Hydroxyethyl-7-methylpterin
CID 135886616
6-[(2R)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridine-2,4-dione
CID 163191181

Frequently Asked Questions

What is the IUPAC name of Sepiapterin?
The IUPAC name of Sepiapterin (CID 135398579) is 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for Sepiapterin?
The canonical SMILES for Sepiapterin is C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1.
What is the InChIKey of Sepiapterin?
The InChIKey is VPVOXUSPXFPWBN-VKHMYHEASA-N. The full InChI is 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.
What are the key properties of Sepiapterin?
Sepiapterin has a molecular weight of 237.22 g/mol, XLogP of -1.20, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Sepiapterin is sourced from PubChem (CID 135398579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).