(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid

C8H9N5O4 — CID 136809710

IUPAC(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid
SMILESNc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](C(=O)O)CN2
InChIInChI=1S/C8H9N5O4/c9-8-11-5-4(6(15)12-8)13(2-14)3(1-10-5)7(16)17/h2-3H,1H2,(H,16,17)(H4,9,10,11,12,15)/t3-/m1/s1
InChIKeyXAUVAYMHNAPWPN-GSVOUGTGSA-N
MW239.19 g/mol
LogP-1.81
Rot. Bonds2

About (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid

(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid (PubChem CID 136809710) has the molecular formula C8H9N5O4 and a molecular weight of 239.19 g/mol. Its IUPAC name is (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid
PubChem CID136809710
Molecular FormulaC8H9N5O4
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid
SMILESNc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](C(=O)O)CN2
InChIInChI=1S/C8H9N5O4/c9-8-11-5-4(6(15)12-8)13(2-14)3(1-10-5)7(16)17/h2-3H,1H2,(H,16,17)(H4,9,10,11,12,15)/t3-/m1/s1
InChIKeyXAUVAYMHNAPWPN-GSVOUGTGSA-N
XLogP-1.81
TPSA141.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid?
The IUPAC name of (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid (CID 136809710) is (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid.
What is the SMILES notation for (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid?
The canonical SMILES for (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid is Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](C(=O)O)CN2.
What is the InChIKey of (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid?
The InChIKey is XAUVAYMHNAPWPN-GSVOUGTGSA-N. The full InChI is InChI=1S/C8H9N5O4/c9-8-11-5-4(6(15)12-8)13(2-14)3(1-10-5)7(16)17/h2-3H,1H2,(H,16,17)(H4,9,10,11,12,15)/t3-/m1/s1.
What are the key properties of (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid?
(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid has a molecular weight of 239.19 g/mol, XLogP of -1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid is sourced from PubChem (CID 136809710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).