[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid

C23H26N5O8P — CID 5275807

About [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid

[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid (PubChem CID 5275807) has the molecular formula C23H26N5O8P and a molecular weight of 531.46 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
• PubChem CID: 5275807
• Molecular Formula: C23H26N5O8P
• Molecular Weight: 531.46 g/mol
• Exact Mass: 531.15
• IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
• SMILES: COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(O)OC[C@H]1O[C@@H](n2cnc3cnccc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C23H26N5O8P/c1-34-23(31)16(8-13-9-25-15-5-3-2-4-14(13)15)27-37(32,33)35-11-19-20(29)21(30)22(36-19)28-12-26-17-10-24-7-6-18(17)28/h2-7,9-10,12,16,19-22,25,29-30H,8,11H2,1H3,(H2,27,32,33)/t16-,19+,20+,21+,22+/m0/s1
• InChIKey: GZNVFGJEZQRFOY-IQQJEHGZSA-N
• XLogP: 1.02
• TPSA: 181.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.46
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid?

The IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid (CID 5275807) is [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid.

What is the SMILES notation for [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid?

The canonical SMILES for [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid is COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(O)OC[C@H]1O[C@@H](n2cnc3cnccc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid?

The InChIKey is GZNVFGJEZQRFOY-IQQJEHGZSA-N. The full InChI is InChI=1S/C23H26N5O8P/c1-34-23(31)16(8-13-9-25-15-5-3-2-4-14(13)15)27-37(32,33)35-11-19-20(29)21(30)22(36-19)28-12-26-17-10-24-7-6-18(17)28/h2-7,9-10,12,16,19-22,25,29-30H,8,11H2,1H3,(H2,27,32,33)/t16-,19+,20+,21+,22+/m0/s1.

What are the key properties of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid?

[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid has a molecular weight of 531.46 g/mol, XLogP of 1.02, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[4,5-c]pyridin-1-yloxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid is sourced from PubChem (CID 5275807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).