2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol

C13H18O6 — CID 4984739

IUPAC2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
SMILESC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
InChIInChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2
InChIKeyGKHCBYYBLTXYEV-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.70
Rot. Bonds4

About 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol

2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol (PubChem CID 4984739) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
PubChem CID4984739
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
SMILESC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
InChIInChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2
InChIKeyGKHCBYYBLTXYEV-UHFFFAOYSA-N
XLogP-0.70
TPSA99.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity268

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Salidroside
CID 159278
Salicin
CID 439503
Amygdalin
CID 656516
2-Phenyl-2-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxyacetonitrile
CID 2180
Prunasin
CID 119033
Gastrodin
CID 115067
Icariside F2
CID 14079045
Tribenoside
CID 196122
Sambunigrin
CID 91434
Prulaurasin
CID 120639
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
Phenylethyl beta-D-glucopyranoside
CID 11289099

Frequently Asked Questions

What is the IUPAC name of 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The IUPAC name of 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol (CID 4984739) is 2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol.
What is the SMILES notation for 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The canonical SMILES for 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol is C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O.
What is the InChIKey of 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The InChIKey is GKHCBYYBLTXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2.
What are the key properties of 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol has a molecular weight of 270.28 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol is sourced from PubChem (CID 4984739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).