4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol

C14H26O10 — CID 59916946

IUPAC4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
SMILESCOC1C(O)C(CO)OC(OC2C(O)C(C)OC(CO)C2O)C1O
InChIInChI=1S/C14H26O10/c1-5-8(17)13(10(19)6(3-15)22-5)24-14-11(20)12(21-2)9(18)7(4-16)23-14/h5-20H,3-4H2,1-2H3
InChIKeyBDVFUIDMKBFAQT-UHFFFAOYSA-N
MW354.35 g/mol
LogP-3.67
Rot. Bonds5

About 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol

4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol (PubChem CID 59916946) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
PubChem CID59916946
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
SMILESCOC1C(O)C(CO)OC(OC2C(O)C(C)OC(CO)C2O)C1O
InChIInChI=1S/C14H26O10/c1-5-8(17)13(10(19)6(3-15)22-5)24-14-11(20)12(21-2)9(18)7(4-16)23-14/h5-20H,3-4H2,1-2H3
InChIKeyBDVFUIDMKBFAQT-UHFFFAOYSA-N
XLogP-3.67
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 5-3.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol with MolForge

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Related Compounds

(4R,5R,6R)-4-[(2R,3S,4R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 174061562
(2R,4S,5R)-2-[(3S,4R)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162453128
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 101072516
(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 56611045
(2S,4S,5S)-2-[(2S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 90181512
(3R,4R,5R)-2-[(2R,3R,4S)-4-hydroxy-2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 166754094
(2S,3S,5S)-2-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 90346392
(3S,4S,5S,6R)-2-[(2R,3R,4S,5S)-3,5-dihydroxy-2-methyl-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 122421215
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134402876
(2R,4S,5R)-2-[(3S,4R,6R)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,4S,5R)-2-[(2R,4S,5S)-5-hydroxy-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-yl]peroxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 161281782
(2S,4S,5S)-2-[(2S,4S,5S)-2-[(2S,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dimethyloxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 157278759
(3R,4R,5S,6S)-6-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 91854437

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol?
The IUPAC name of 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol (CID 59916946) is 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol.
What is the SMILES notation for 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol?
The canonical SMILES for 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol is COC1C(O)C(CO)OC(OC2C(O)C(C)OC(CO)C2O)C1O.
What is the InChIKey of 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol?
The InChIKey is BDVFUIDMKBFAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O10/c1-5-8(17)13(10(19)6(3-15)22-5)24-14-11(20)12(21-2)9(18)7(4-16)23-14/h5-20H,3-4H2,1-2H3.
What are the key properties of 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol?
4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol has a molecular weight of 354.35 g/mol, XLogP of -3.67, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol is sourced from PubChem (CID 59916946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).