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

C16H24O6 — CID 101010854

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol
SMILESCc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1C
InChIInChI=1S/C16H24O6/c1-8-4-5-11(10(3)9(8)2)7-21-16-15(20)14(19)13(18)12(6-17)22-16/h4-5,12-20H,6-7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyPBKUBJVWRJQWHX-IBEHDNSVSA-N
MW312.36 g/mol
LogP-0.07
Rot. Bonds4

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol (PubChem CID 101010854) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol
PubChem CID101010854
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol
SMILESCc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1C
InChIInChI=1S/C16H24O6/c1-8-4-5-11(10(3)9(8)2)7-21-16-15(20)14(19)13(18)12(6-17)22-16/h4-5,12-20H,6-7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyPBKUBJVWRJQWHX-IBEHDNSVSA-N
XLogP-0.07
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol with MolForge

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CID 44559130

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol (CID 101010854) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol is Cc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1C.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol?
The InChIKey is PBKUBJVWRJQWHX-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H24O6/c1-8-4-5-11(10(3)9(8)2)7-21-16-15(20)14(19)13(18)12(6-17)22-16/h4-5,12-20H,6-7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol has a molecular weight of 312.36 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 101010854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).