[(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate

About [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate

[(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate (PubChem CID 58714099) has the molecular formula C19H25N3O13P2 and a molecular weight of 565.37 g/mol. Its IUPAC name is [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate.

Molecular Properties

Compound Name	[(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate
PubChem CID	58714099
Molecular Formula	C19H25N3O13P2
Molecular Weight	565.37 g/mol
Exact Mass	565.09
IUPAC Name	[(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate
SMILES	CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)Nc2ccccc2)C1O
InChI	InChI=1S/C19H25N3O13P2/c1-2-10-31-36(27,28)35-37(29,30)32-11-13-15(24)16(34-19(26)20-12-6-4-3-5-7-12)17(33-13)22-9-8-14(23)21-18(22)25/h3-9,13,15-17,24H,2,10-11H2,1H3,(H,20,26)(H,27,28)(H,29,30)(H,21,23,25)/t13-,15?,16+,17-/m1/s1
InChIKey	LVUDLHBUGVVYSA-NHFRXMKASA-N
XLogP	1.07
TPSA	224.94 Å²
H-Bond Donors	5
H-Bond Acceptors	12
Rotatable Bonds	11
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.37
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

The IUPAC name of [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate (CID 58714099) is [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate.

What is the SMILES notation for [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

The canonical SMILES for [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate is CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)Nc2ccccc2)C1O.

What is the InChIKey of [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

The InChIKey is LVUDLHBUGVVYSA-NHFRXMKASA-N. The full InChI is InChI=1S/C19H25N3O13P2/c1-2-10-31-36(27,28)35-37(29,30)32-11-13-15(24)16(34-19(26)20-12-6-4-3-5-7-12)17(33-13)22-9-8-14(23)21-18(22)25/h3-9,13,15-17,24H,2,10-11H2,1H3,(H,20,26)(H,27,28)(H,29,30)(H,21,23,25)/t13-,15?,16+,17-/m1/s1.

What are the key properties of [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

[(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate has a molecular weight of 565.37 g/mol, XLogP of 1.07, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate is sourced from PubChem (CID 58714099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).