(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol

C15H22O7 — CID 10829053

IUPAC(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol
SMILESOC[C@@H](O)CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C15H22O7/c16-6-11(17)8-21-15-14(13(19)12(18)9-22-15)20-7-10-4-2-1-3-5-10/h1-5,11-19H,6-9H2/t11-,12-,13+,14-,15+/m1/s1
InChIKeyBHTUSLRDWJPVHB-QMIVOQANSA-N
MW314.33 g/mol
LogP-0.98
Rot. Bonds7

About (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol

(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol (PubChem CID 10829053) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol
PubChem CID10829053
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol
SMILESOC[C@@H](O)CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C15H22O7/c16-6-11(17)8-21-15-14(13(19)12(18)9-22-15)20-7-10-4-2-1-3-5-10/h1-5,11-19H,6-9H2/t11-,12-,13+,14-,15+/m1/s1
InChIKeyBHTUSLRDWJPVHB-QMIVOQANSA-N
XLogP-0.98
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol?
The IUPAC name of (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol (CID 10829053) is (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol is OC[C@@H](O)CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol?
The InChIKey is BHTUSLRDWJPVHB-QMIVOQANSA-N. The full InChI is InChI=1S/C15H22O7/c16-6-11(17)8-21-15-14(13(19)12(18)9-22-15)20-7-10-4-2-1-3-5-10/h1-5,11-19H,6-9H2/t11-,12-,13+,14-,15+/m1/s1.
What are the key properties of (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol?
(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol has a molecular weight of 314.33 g/mol, XLogP of -0.98, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 10829053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).