Fosdenopterin

Name: Fosdenopterin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₄N₅O₈P — CID 135463437

💊View drug profile → fosdenopterin

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R,10R,12S,17R)-5-amino-11,11,14-trihydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14λ5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-dien-7-one

SMILESNc1nc2c(c(=O)[nH]1)N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O

InChIInChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1

InChIKeyCZAKJJUNKNPTTO-AJFJRRQVSA-N

MW363.22 g/mol

LogP-2.52

Rot. Bonds

About Fosdenopterin

Fosdenopterin (PubChem CID 135463437) has the molecular formula C₁₀H₁₄N₅O₈P and a molecular weight of 363.22 g/mol. Its IUPAC name is (1R,10R,12S,17R)-5-amino-11,11,14-trihydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14λ5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-dien-7-one.

Molecular Properties

Compound Name	Fosdenopterin
PubChem CID	135463437
Molecular Formula	C₁₀H₁₄N₅O₈P
Molecular Weight	363.22 g/mol
Exact Mass	363.06
IUPAC Name	(1R,10R,12S,17R)-5-amino-11,11,14-trihydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14λ5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-dien-7-one
SMILES	Nc1nc2c(c(=O)[nH]1)N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O
InChI	InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1
InChIKey	CZAKJJUNKNPTTO-AJFJRRQVSA-N
XLogP	-2.52
TPSA	201.28 Å²
H-Bond Donors	7
H-Bond Acceptors	11
Rotatable Bonds
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	363.22
LogP ≤ 5	-2.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Fosdenopterin?

The IUPAC name of Fosdenopterin (CID 135463437) is (1R,10R,12S,17R)-5-amino-11,11,14-trihydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14λ5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-dien-7-one.

What is the SMILES notation for Fosdenopterin?

The canonical SMILES for Fosdenopterin is Nc1nc2c(c(=O)[nH]1)N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O.

What is the InChIKey of Fosdenopterin?

The InChIKey is CZAKJJUNKNPTTO-AJFJRRQVSA-N. The full InChI is InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1.

What are the key properties of Fosdenopterin?

Fosdenopterin has a molecular weight of 363.22 g/mol, XLogP of -2.52, 0 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for Fosdenopterin is sourced from PubChem (CID 135463437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: F · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 135463437 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5444 — approved-drug record (CC BY-SA 4.0)

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