6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol

C20H30O9 — CID 163040985

IUPAC6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
SMILESCOC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OCc1ccccc1
InChIInChI=1S/C20H30O9/c1-10-14(22)16(24)18(19(25-3)27-10)29-20-17(15(23)13(21)11(2)28-20)26-9-12-7-5-4-6-8-12/h4-8,10-11,13-24H,9H2,1-3H3
InChIKeyJLEFFWLDSBSPJX-UHFFFAOYSA-N
MW414.45 g/mol
LogP-0.46
Rot. Bonds6

About 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol

6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol (PubChem CID 163040985) has the molecular formula C20H30O9 and a molecular weight of 414.45 g/mol. Its IUPAC name is 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
PubChem CID163040985
Molecular FormulaC20H30O9
Molecular Weight414.45 g/mol
Exact Mass414.19
IUPAC Name6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
SMILESCOC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OCc1ccccc1
InChIInChI=1S/C20H30O9/c1-10-14(22)16(24)18(19(25-3)27-10)29-20-17(15(23)13(21)11(2)28-20)26-9-12-7-5-4-6-8-12/h4-8,10-11,13-24H,9H2,1-3H3
InChIKeyJLEFFWLDSBSPJX-UHFFFAOYSA-N
XLogP-0.46
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
(2R,3R,6R)-2-methyl-5-phenylmethoxy-6-prop-2-enoxyoxane-3,4-diol
CID 170516720
2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol
CID 162141077
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2S,3R,4R,5S,6S)-3,4-dimethoxy-2-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-5-phenylmethoxy-2-[(2S,3S,4R,5R,6R)-4,5,6-trimethoxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-6-methyl-5-phenylmethoxyoxane
CID 10259312
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 102215626
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2S,3R,4S,5R,6S)-6-methoxy-2-[(2R,3S)-3-methyloxiran-2-yl]-4,5-bis(phenylmethoxy)oxan-3-ol
CID 14525549
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol?
The IUPAC name of 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol (CID 163040985) is 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol is COC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OCc1ccccc1.
What is the InChIKey of 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol?
The InChIKey is JLEFFWLDSBSPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O9/c1-10-14(22)16(24)18(19(25-3)27-10)29-20-17(15(23)13(21)11(2)28-20)26-9-12-7-5-4-6-8-12/h4-8,10-11,13-24H,9H2,1-3H3.
What are the key properties of 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol?
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol has a molecular weight of 414.45 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 163040985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).