(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol

C12H17O7P — CID 11403936

IUPAC(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol
SMILESO=[P@@]1(OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17O7P/c13-6-9-10(14)11(15)12(16)20(17,19-9)18-7-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11-,12+,20+/m1/s1
InChIKeyLZOZRXVSJUWAKG-AUTUZEJTSA-N
MW304.24 g/mol
LogP-0.17
Rot. Bonds4

About (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol

(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol (PubChem CID 11403936) has the molecular formula C12H17O7P and a molecular weight of 304.24 g/mol. Its IUPAC name is (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol
PubChem CID11403936
Molecular FormulaC12H17O7P
Molecular Weight304.24 g/mol
Exact Mass304.07
IUPAC Name(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol
SMILESO=[P@@]1(OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17O7P/c13-6-9-10(14)11(15)12(16)20(17,19-9)18-7-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11-,12+,20+/m1/s1
InChIKeyLZOZRXVSJUWAKG-AUTUZEJTSA-N
XLogP-0.17
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(1S,3S,5S,6R,7S,8S,9S)-3-oxo-3,7,8-tris(phenylmethoxy)-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,9-diol
CID 10673320
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
dibenzyl [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 56840465
[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate
CID 71814775
(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol
CID 131700365
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
CID 129223206
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(2S,4aS,5S,6R,7S,8R,8aR)-2-oxo-2,5,7-tris(phenylmethoxy)-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine-6,8-diol
CID 10369601

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol (CID 11403936) is (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol is O=[P@@]1(OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol?
The InChIKey is LZOZRXVSJUWAKG-AUTUZEJTSA-N. The full InChI is InChI=1S/C12H17O7P/c13-6-9-10(14)11(15)12(16)20(17,19-9)18-7-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11-,12+,20+/m1/s1.
What are the key properties of (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol?
(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol has a molecular weight of 304.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol is sourced from PubChem (CID 11403936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).