(2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol

C19H28O7 — CID 101058554

IUPAC(2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol
SMILESO[C@H]1[C@@H](O)[C@@H](COCc2ccccc2)O[C@@H](O[C@@H]2CCCC[C@H]2O)[C@@H]1O
InChIInChI=1S/C19H28O7/c20-13-8-4-5-9-14(13)25-19-18(23)17(22)16(21)15(26-19)11-24-10-12-6-2-1-3-7-12/h1-3,6-7,13-23H,4-5,8-11H2/t13-,14-,15-,16+,17+,18-,19-/m1/s1
InChIKeyJDLGLOGNBUBMDI-NPAXRPIGSA-N
MW368.43 g/mol
LogP0.33
Rot. Bonds6

About (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol (PubChem CID 101058554) has the molecular formula C19H28O7 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol
PubChem CID101058554
Molecular FormulaC19H28O7
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name(2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol
SMILESO[C@H]1[C@@H](O)[C@@H](COCc2ccccc2)O[C@@H](O[C@@H]2CCCC[C@H]2O)[C@@H]1O
InChIInChI=1S/C19H28O7/c20-13-8-4-5-9-14(13)25-19-18(23)17(22)16(21)15(26-19)11-24-10-12-6-2-1-3-7-12/h1-3,6-7,13-23H,4-5,8-11H2/t13-,14-,15-,16+,17+,18-,19-/m1/s1
InChIKeyJDLGLOGNBUBMDI-NPAXRPIGSA-N
XLogP0.33
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol (CID 101058554) is (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol is O[C@H]1[C@@H](O)[C@@H](COCc2ccccc2)O[C@@H](O[C@@H]2CCCC[C@H]2O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol?
The InChIKey is JDLGLOGNBUBMDI-NPAXRPIGSA-N. The full InChI is InChI=1S/C19H28O7/c20-13-8-4-5-9-14(13)25-19-18(23)17(22)16(21)15(26-19)11-24-10-12-6-2-1-3-7-12/h1-3,6-7,13-23H,4-5,8-11H2/t13-,14-,15-,16+,17+,18-,19-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol has a molecular weight of 368.43 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxycyclohexyl]oxy-6-(phenylmethoxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 101058554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).