(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol

C12H16O5 — CID 11253449

IUPAC(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)OC[C@@H]1O
InChIInChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKeyXUGMDBJXWCFLRQ-NNYUYHANSA-N
MW240.25 g/mol
LogP-0.36
Rot. Bonds3

About (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol

(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol (PubChem CID 11253449) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
PubChem CID11253449
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)OC[C@@H]1O
InChIInChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKeyXUGMDBJXWCFLRQ-NNYUYHANSA-N
XLogP-0.36
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol
CID 155889463
(2S,3S,4R,5R)-5-bromo-2-phenylmethoxyoxane-3,4-diol
CID 125469481
(3R,4S,5S,6R)-2-phenylmethoxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 163193773
(3R,4R,5S,6R)-4,5-dihydroxy-6-phenylmethoxyoxane-3-carbonitrile
CID 12002844
(1S,4S,5S,6R)-4-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15939647
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(2R,3S,4S,5S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 162899851
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 74378451
[(3S,4R,5R,6R)-4,5-dihydroxy-6-phenylmethoxyoxan-3-yl] benzoate
CID 102458437
(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol
CID 10829053
(3aS,6S,7S,7aR)-7-hydroxy-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dithiolo[4,5-c]pyran-2-thione
CID 101223208

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol (CID 11253449) is (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)OC[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol?
The InChIKey is XUGMDBJXWCFLRQ-NNYUYHANSA-N. The full InChI is InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol?
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol has a molecular weight of 240.25 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol is sourced from PubChem (CID 11253449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).