(2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C20H22F2O5 — CID 58133509

IUPAC(2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](C(F)(F)c2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H22F2O5/c21-20(22,19-18(26)17(25)16(24)15(11-23)27-19)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15-19,23-26H,10-11H2/t15-,16-,17+,18-,19-/m1/s1
InChIKeyGSYHEJSOINZMJD-UJWQCDCRSA-N
MW380.39 g/mol
LogP1.21
Rot. Bonds5

About (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 58133509) has the molecular formula C20H22F2O5 and a molecular weight of 380.39 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID58133509
Molecular FormulaC20H22F2O5
Molecular Weight380.39 g/mol
Exact Mass380.14
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](C(F)(F)c2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H22F2O5/c21-20(22,19-18(26)17(25)16(24)15(11-23)27-19)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15-19,23-26H,10-11H2/t15-,16-,17+,18-,19-/m1/s1
InChIKeyGSYHEJSOINZMJD-UJWQCDCRSA-N
XLogP1.21
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 58133509) is (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](C(F)(F)c2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is GSYHEJSOINZMJD-UJWQCDCRSA-N. The full InChI is InChI=1S/C20H22F2O5/c21-20(22,19-18(26)17(25)16(24)15(11-23)27-19)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15-19,23-26H,10-11H2/t15-,16-,17+,18-,19-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 380.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2-benzylphenyl)-difluoromethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 58133509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).