(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol

C16H24O7 — CID 14589106

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
SMILESCc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyXFPSRAYOBUHKRV-IBEHDNSVSA-N
MW328.36 g/mol
LogP0.00
Rot. Bonds4

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol (PubChem CID 14589106) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
PubChem CID14589106
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
SMILESCc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyXFPSRAYOBUHKRV-IBEHDNSVSA-N
XLogP0.00
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 50.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol (CID 14589106) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol is Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol?
The InChIKey is XFPSRAYOBUHKRV-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol has a molecular weight of 328.36 g/mol, XLogP of 0.00, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 14589106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).