(2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol

C20H24O4 — CID 71016764

IUPAC(2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](Cc2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H24O4/c1-13-18(21)20(23)19(22)17(24-13)12-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17-23H,11-12H2,1H3/t13-,17+,18-,19+,20+/m1/s1
InChIKeyFNLXCRTZBYXWNK-UQSIQIAASA-N
MW328.41 g/mol
LogP1.69
Rot. Bonds4

About (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol (PubChem CID 71016764) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol
PubChem CID71016764
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](Cc2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H24O4/c1-13-18(21)20(23)19(22)17(24-13)12-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17-23H,11-12H2,1H3/t13-,17+,18-,19+,20+/m1/s1
InChIKeyFNLXCRTZBYXWNK-UQSIQIAASA-N
XLogP1.69
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol (CID 71016764) is (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol is C[C@H]1O[C@@H](Cc2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol?
The InChIKey is FNLXCRTZBYXWNK-UQSIQIAASA-N. The full InChI is InChI=1S/C20H24O4/c1-13-18(21)20(23)19(22)17(24-13)12-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17-23H,11-12H2,1H3/t13-,17+,18-,19+,20+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol has a molecular weight of 328.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 71016764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).