[(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium

C10H17NO12P2+2 — CID 169316222

IUPAC[(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium
SMILESO=C1C=CC([C@@H]2O[C@H](CO[P+](O)(O)O[P+](O)(O)O)[C@H](O)C2O)C(=O)N1
InChIInChI=1S/C10H16NO12P2/c12-6-2-1-4(10(15)11-6)9-8(14)7(13)5(22-9)3-21-25(19,20)23-24(16,17)18/h1-2,4-5,7-9,13-14,16-20H,3H2/q+1/p+1/t4?,5-,7+,8?,9+/m1/s1
InChIKeyGPZDYTZPGMPDMG-ZXSWETMSSA-O
MW405.19 g/mol
LogP-3.35
Rot. Bonds6

About [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium

[(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium (PubChem CID 169316222) has the molecular formula C10H17NO12P2+2 and a molecular weight of 405.19 g/mol. Its IUPAC name is [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium.

Molecular Properties

Compound Name[(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium
PubChem CID169316222
Molecular FormulaC10H17NO12P2+2
Molecular Weight405.19 g/mol
Exact Mass405.02
IUPAC Name[(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium
SMILESO=C1C=CC([C@@H]2O[C@H](CO[P+](O)(O)O[P+](O)(O)O)[C@H](O)C2O)C(=O)N1
InChIInChI=1S/C10H16NO12P2/c12-6-2-1-4(10(15)11-6)9-8(14)7(13)5(22-9)3-21-25(19,20)23-24(16,17)18/h1-2,4-5,7-9,13-14,16-20H,3H2/q+1/p+1/t4?,5-,7+,8?,9+/m1/s1
InChIKeyGPZDYTZPGMPDMG-ZXSWETMSSA-O
XLogP-3.35
TPSA215.47 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500405.19
LogP ≤ 5-3.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium?
The IUPAC name of [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium (CID 169316222) is [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium.
What is the SMILES notation for [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium?
The canonical SMILES for [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium is O=C1C=CC([C@@H]2O[C@H](CO[P+](O)(O)O[P+](O)(O)O)[C@H](O)C2O)C(=O)N1.
What is the InChIKey of [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium?
The InChIKey is GPZDYTZPGMPDMG-ZXSWETMSSA-O. The full InChI is InChI=1S/C10H16NO12P2/c12-6-2-1-4(10(15)11-6)9-8(14)7(13)5(22-9)3-21-25(19,20)23-24(16,17)18/h1-2,4-5,7-9,13-14,16-20H,3H2/q+1/p+1/t4?,5-,7+,8?,9+/m1/s1.
What are the key properties of [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium?
[(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium has a molecular weight of 405.19 g/mol, XLogP of -3.35, 6 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium is sourced from PubChem (CID 169316222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).