trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium

C5H10O7P+ — CID 57151462

IUPACtrihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium
SMILESO=C1C([P+](O)(O)O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C5H10O7P/c6-1-2-3(7)4(8)5(12-2)13(9,10)11/h2-3,5-7,9-11H,1H2/q+1/t2-,3-,5?/m1/s1
InChIKeyQKOXUHHSESZMDA-BSNSRCFLSA-N
MW213.10 g/mol
LogP-2.63
Rot. Bonds2

About trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium

trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium (PubChem CID 57151462) has the molecular formula C5H10O7P+ and a molecular weight of 213.10 g/mol. Its IUPAC name is trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium
PubChem CID57151462
Molecular FormulaC5H10O7P+
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC Nametrihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium
SMILESO=C1C([P+](O)(O)O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C5H10O7P/c6-1-2-3(7)4(8)5(12-2)13(9,10)11/h2-3,5-7,9-11H,1H2/q+1/t2-,3-,5?/m1/s1
InChIKeyQKOXUHHSESZMDA-BSNSRCFLSA-N
XLogP-2.63
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 5-2.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one
CID 58758225
(3R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 135043917
(3R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 118285722
(2R,3R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-one
CID 3082234
(2S,3S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-one
CID 118274789
(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one
CID 118285747
(2S,3S,5R,6R)-3-deuterio-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-4-one
CID 10442587
(2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one
CID 91152900
(2S,3S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-one
CID 102496077
(4S,5R,7aR)-4,7-dihydroxy-5-(hydroxymethyl)-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 25189298
(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one
CID 175884762
(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol
CID 154434446

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium?
The IUPAC name of trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium (CID 57151462) is trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium.
What is the SMILES notation for trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium?
The canonical SMILES for trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium is O=C1C([P+](O)(O)O)O[C@H](CO)[C@H]1O.
What is the InChIKey of trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium?
The InChIKey is QKOXUHHSESZMDA-BSNSRCFLSA-N. The full InChI is InChI=1S/C5H10O7P/c6-1-2-3(7)4(8)5(12-2)13(9,10)11/h2-3,5-7,9-11H,1H2/q+1/t2-,3-,5?/m1/s1.
What are the key properties of trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium?
trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium has a molecular weight of 213.10 g/mol, XLogP of -2.63, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium is sourced from PubChem (CID 57151462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).