[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate

C19H25N10O10P — CID 136645485

About [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate

[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate (PubChem CID 136645485) has the molecular formula C19H25N10O10P and a molecular weight of 584.44 g/mol. Its IUPAC name is [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate.

Molecular Properties

• Compound Name: [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate
• PubChem CID: 136645485
• Molecular Formula: C19H25N10O10P
• Molecular Weight: 584.44 g/mol
• Exact Mass: 584.15
• IUPAC Name: [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate
• SMILES: NC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OP(=O)(O)OC[C@@H]1CC[C@H](n2cnc(N)nc2=O)O1
• InChI: InChI=1S/C19H25N10O10P/c20-16-24-7-29(19(32)27-16)11-2-1-8(37-11)4-36-40(33,34)39-9-3-12(38-10(9)5-35-18(22)31)28-6-23-13-14(28)25-17(21)26-15(13)30/h6-12H,1-5H2,(H2,22,31)(H,33,34)(H2,20,27,32)(H3,21,25,26,30)/t8-,9+,10+,11+,12+/m0/s1
• InChIKey: UKCMEZSTBYWUML-VSSNEEPJSA-N
• XLogP: -1.50
• TPSA: 289.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.44
LogP ≤ 5	-1.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate?

The IUPAC name of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate (CID 136645485) is [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate.

What is the SMILES notation for [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate?

The canonical SMILES for [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate is NC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OP(=O)(O)OC[C@@H]1CC[C@H](n2cnc(N)nc2=O)O1.

What is the InChIKey of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate?

The InChIKey is UKCMEZSTBYWUML-VSSNEEPJSA-N. The full InChI is InChI=1S/C19H25N10O10P/c20-16-24-7-29(19(32)27-16)11-2-1-8(37-11)4-36-40(33,34)39-9-3-12(38-10(9)5-35-18(22)31)28-6-23-13-14(28)25-17(21)26-15(13)30/h6-12H,1-5H2,(H2,22,31)(H,33,34)(H2,20,27,32)(H3,21,25,26,30)/t8-,9+,10+,11+,12+/m0/s1.

What are the key properties of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate?

[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate has a molecular weight of 584.44 g/mol, XLogP of -1.50, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl carbamate is sourced from PubChem (CID 136645485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).