[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium

C14H21N7O7P+ — CID 90300255

About [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium

[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium (PubChem CID 90300255) has the molecular formula C14H21N7O7P+ and a molecular weight of 430.34 g/mol. Its IUPAC name is [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium.

Molecular Properties

• Compound Name: [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium
• PubChem CID: 90300255
• Molecular Formula: C14H21N7O7P+
• Molecular Weight: 430.34 g/mol
• Exact Mass: 430.12
• IUPAC Name: [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium
• SMILES: COC(=O)[C@H](C)N[P+](=O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@](C)(N=[N+]=[N-])[C@@H]1O
• InChI: InChI=1S/C14H20N7O7P/c1-7(11(23)26-3)18-29(25)27-6-8-10(22)14(2,19-20-16)12(28-8)21-5-4-9(15)17-13(21)24/h4-5,7-8,10,12,22H,6H2,1-3H3,(H2-,15,17,18,24,25)/p+1/t7-,8+,10+,12?,14+/m0/s1
• InChIKey: ABZUOZIXWYUSFF-AECQIOICSA-O
• XLogP: -0.02
• TPSA: 203.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.34
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?

The IUPAC name of [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium (CID 90300255) is [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium.

What is the SMILES notation for [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?

The canonical SMILES for [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium is COC(=O)[C@H](C)N[P+](=O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@](C)(N=[N+]=[N-])[C@@H]1O.

What is the InChIKey of [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?

The InChIKey is ABZUOZIXWYUSFF-AECQIOICSA-O. The full InChI is InChI=1S/C14H20N7O7P/c1-7(11(23)26-3)18-29(25)27-6-8-10(22)14(2,19-20-16)12(28-8)21-5-4-9(15)17-13(21)24/h4-5,7-8,10,12,22H,6H2,1-3H3,(H2-,15,17,18,24,25)/p+1/t7-,8+,10+,12?,14+/m0/s1.

What are the key properties of [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?

[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium has a molecular weight of 430.34 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium is sourced from PubChem (CID 90300255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).