sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate

C5H11NaO8P2 — CID 59585307

IUPACsodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate
SMILESO=P([O-])(O)CP1(=O)O[C@H](CO)[C@@H](O)C1O.[Na+]
InChIInChI=1S/C5H12O8P2.Na/c6-1-3-4(7)5(8)14(9,13-3)2-15(10,11)12;/h3-8H,1-2H2,(H2,10,11,12);/q;+1/p-1/t3-,4-,5?,14?;/m1./s1
InChIKeyILHJRVDWNLWIOZ-YIRVZXBCSA-M
MW284.07 g/mol
LogP-5.16
Rot. Bonds3

About sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate

sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate (PubChem CID 59585307) has the molecular formula C5H11NaO8P2 and a molecular weight of 284.07 g/mol. Its IUPAC name is sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate.

Molecular Properties

Compound Namesodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate
PubChem CID59585307
Molecular FormulaC5H11NaO8P2
Molecular Weight284.07 g/mol
Exact Mass283.98
IUPAC Namesodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate
SMILESO=P([O-])(O)CP1(=O)O[C@H](CO)[C@@H](O)C1O.[Na+]
InChIInChI=1S/C5H12O8P2.Na/c6-1-3-4(7)5(8)14(9,13-3)2-15(10,11)12;/h3-8H,1-2H2,(H2,10,11,12);/q;+1/p-1/t3-,4-,5?,14?;/m1./s1
InChIKeyILHJRVDWNLWIOZ-YIRVZXBCSA-M
XLogP-5.16
TPSA147.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 5-5.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate?
The IUPAC name of sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate (CID 59585307) is sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate.
What is the SMILES notation for sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate?
The canonical SMILES for sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate is O=P([O-])(O)CP1(=O)O[C@H](CO)[C@@H](O)C1O.[Na+].
What is the InChIKey of sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate?
The InChIKey is ILHJRVDWNLWIOZ-YIRVZXBCSA-M. The full InChI is InChI=1S/C5H12O8P2.Na/c6-1-3-4(7)5(8)14(9,13-3)2-15(10,11)12;/h3-8H,1-2H2,(H2,10,11,12);/q;+1/p-1/t3-,4-,5?,14?;/m1./s1.
What are the key properties of sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate?
sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate has a molecular weight of 284.07 g/mol, XLogP of -5.16, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxo-1,2λ5-oxaphospholan-2-yl]methyl-hydroxyphosphinate is sourced from PubChem (CID 59585307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).