[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

C10H16N2O10P2 — CID 16741197

IUPAC[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
SMILESO=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)O2)c(=O)[nH]1
InChIInChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
InChIKeyMYBNSHXDOWMNJH-LKEWCRSYSA-N
MW386.19 g/mol
LogP-1.48
Rot. Bonds6

About [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid (PubChem CID 16741197) has the molecular formula C10H16N2O10P2 and a molecular weight of 386.19 g/mol. Its IUPAC name is [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
PubChem CID16741197
Molecular FormulaC10H16N2O10P2
Molecular Weight386.19 g/mol
Exact Mass386.03
IUPAC Name[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
SMILESO=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)O2)c(=O)[nH]1
InChIInChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
InChIKeyMYBNSHXDOWMNJH-LKEWCRSYSA-N
XLogP-1.48
TPSA188.38 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
The IUPAC name of [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid (CID 16741197) is [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid.
What is the SMILES notation for [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
The canonical SMILES for [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid is O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)O2)c(=O)[nH]1.
What is the InChIKey of [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
The InChIKey is MYBNSHXDOWMNJH-LKEWCRSYSA-N. The full InChI is InChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1.
What are the key properties of [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid has a molecular weight of 386.19 g/mol, XLogP of -1.48, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid is sourced from PubChem (CID 16741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).