(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol

C18H26O10 — CID 163190144

IUPAC(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@](OCc2ccccc2)([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(25)18(28-11,27-7-9-4-2-1-3-5-9)17-15(24)12(21)10(20)8-26-17/h1-5,10-17,19-25H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17-,18+/m1/s1
InChIKeyCKZPWPRHWOEACS-PDBDJCPPSA-N
MW402.40 g/mol
LogP-3.15
Rot. Bonds5

About (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol (PubChem CID 163190144) has the molecular formula C18H26O10 and a molecular weight of 402.40 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol
PubChem CID163190144
Molecular FormulaC18H26O10
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@](OCc2ccccc2)([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(25)18(28-11,27-7-9-4-2-1-3-5-9)17-15(24)12(21)10(20)8-26-17/h1-5,10-17,19-25H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17-,18+/m1/s1
InChIKeyCKZPWPRHWOEACS-PDBDJCPPSA-N
XLogP-3.15
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 5-3.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol (CID 163190144) is (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol is OC[C@H]1O[C@](OCc2ccccc2)([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol?
The InChIKey is CKZPWPRHWOEACS-PDBDJCPPSA-N. The full InChI is InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(25)18(28-11,27-7-9-4-2-1-3-5-9)17-15(24)12(21)10(20)8-26-17/h1-5,10-17,19-25H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17-,18+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol has a molecular weight of 402.40 g/mol, XLogP of -3.15, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-phenylmethoxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxane-3,4,5-triol is sourced from PubChem (CID 163190144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).