(3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol

C7H16O6P2 — CID 161247712

IUPAC(3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol
SMILESCP(P)O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C7H16O6P2/c1-15(14)13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2,14H2,1H3/t3?,4-,5-,6?,7-,15?/m0/s1
InChIKeyWDCLGYUAWLHTRK-IQQSATILSA-N
MW258.15 g/mol
LogP-1.38
Rot. Bonds3

About (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol

(3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol (PubChem CID 161247712) has the molecular formula C7H16O6P2 and a molecular weight of 258.15 g/mol. Its IUPAC name is (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol
PubChem CID161247712
Molecular FormulaC7H16O6P2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name(3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol
SMILESCP(P)O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C7H16O6P2/c1-15(14)13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2,14H2,1H3/t3?,4-,5-,6?,7-,15?/m0/s1
InChIKeyWDCLGYUAWLHTRK-IQQSATILSA-N
XLogP-1.38
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol?
The IUPAC name of (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol (CID 161247712) is (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol?
The canonical SMILES for (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol is CP(P)O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O.
What is the InChIKey of (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol?
The InChIKey is WDCLGYUAWLHTRK-IQQSATILSA-N. The full InChI is InChI=1S/C7H16O6P2/c1-15(14)13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2,14H2,1H3/t3?,4-,5-,6?,7-,15?/m0/s1.
What are the key properties of (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol?
(3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol has a molecular weight of 258.15 g/mol, XLogP of -1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 161247712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).