2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

C20H30O10 — CID 14312558

IUPAC2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCC1OC(OCC2OC(OCCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3
InChIKeyOKUGUNDXBGUFPA-UHFFFAOYSA-N
MW430.45 g/mol
LogP-2.10
Rot. Bonds7

About 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 14312558) has the molecular formula C20H30O10 and a molecular weight of 430.45 g/mol. Its IUPAC name is 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID14312558
Molecular FormulaC20H30O10
Molecular Weight430.45 g/mol
Exact Mass430.18
IUPAC Name2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCC1OC(OCC2OC(OCCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3
InChIKeyOKUGUNDXBGUFPA-UHFFFAOYSA-N
XLogP-2.10
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 5-2.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

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
Icariside F2
CID 14079045
Phenylethyl beta-D-glucopyranoside
CID 11289099
Phenylethyl primeveroside
CID 14704521
Rosavin
CID 9823887
2-(Hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
CID 468284
Benzyl b-primeveroside
CID 14730864
Hydrangeifolin I
CID 10549806
2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
CID 11166301
Dibenzylidenesorbitol
CID 10926424
Benzyl beta-primeveroside
CID 131248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol (CID 14312558) is 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol is CC1OC(OCC2OC(OCCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is OKUGUNDXBGUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3.
What are the key properties of 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 430.45 g/mol, XLogP of -2.10, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 14312558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).