(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol

C12H16O6 — CID 51340684

IUPAC(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
SMILESOCC1O[C@@H](Oc2ccccc2)C(O)[C@H](O)C1O
InChIInChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8?,9?,10-,11?,12-/m1/s1
InChIKeyNEZJDVYDSZTRFS-NPLYTMANSA-N
MW256.25 g/mol
LogP-1.13
Rot. Bonds3

About (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol

(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol (PubChem CID 51340684) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
PubChem CID51340684
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
SMILESOCC1O[C@@H](Oc2ccccc2)C(O)[C@H](O)C1O
InChIInChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8?,9?,10-,11?,12-/m1/s1
InChIKeyNEZJDVYDSZTRFS-NPLYTMANSA-N
XLogP-1.13
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54569433
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101471944
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
CID 172642132
(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
CID 172642131
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
phenyl-[4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
CID 102410375
acetonitrile;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 70170998
(3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90014619
(2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078194

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol?
The IUPAC name of (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol (CID 51340684) is (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol.
What is the SMILES notation for (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol?
The canonical SMILES for (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol is OCC1O[C@@H](Oc2ccccc2)C(O)[C@H](O)C1O.
What is the InChIKey of (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol?
The InChIKey is NEZJDVYDSZTRFS-NPLYTMANSA-N. The full InChI is InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8?,9?,10-,11?,12-/m1/s1.
What are the key properties of (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol?
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol has a molecular weight of 256.25 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol is sourced from PubChem (CID 51340684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).