2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen

C15H30O11 — CID 159174958

IUPAC2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen
SMILESCCCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.[H][H]
InChIInChI=1S/C15H28O11.H2/c1-2-3-23-14-12(21)11(20)9(18)7(26-14)5-24-15-13(22)10(19)8(17)6(4-16)25-15;/h6-22H,2-5H2,1H3;1H
InChIKeyKMDUQGBYCBEWDF-UHFFFAOYSA-N
MW386.39 g/mol
LogP-3.72
Rot. Bonds7

About 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen

2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen (PubChem CID 159174958) has the molecular formula C15H30O11 and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen
PubChem CID159174958
Molecular FormulaC15H30O11
Molecular Weight386.39 g/mol
Exact Mass386.18
IUPAC Name2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen
SMILESCCCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.[H][H]
InChIInChI=1S/C15H28O11.H2/c1-2-3-23-14-12(21)11(20)9(18)7(26-14)5-24-15-13(22)10(19)8(17)6(4-16)25-15;/h6-22H,2-5H2,1H3;1H
InChIKeyKMDUQGBYCBEWDF-UHFFFAOYSA-N
XLogP-3.72
TPSA178.53 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500386.39
LogP ≤ 5-3.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen with MolForge

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Related Compounds

(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2S,3S,4S,5S,6R)-2-[[(2R,3R,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122522455
2-[(5-decoxy-3,4-dihydroxyoxolan-2-yl)methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 545993
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-hexoxyoxane-3,4,5-triol
CID 131751182
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101094442
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101155404
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162937440
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxepane-3,4,5,6-tetrol
CID 25194280
(2R,3R,4R,5S,6R)-6-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 162942184
(2R,3S,4S,5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 162942189
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 171124046

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen?
The IUPAC name of 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen (CID 159174958) is 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen.
What is the SMILES notation for 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen?
The canonical SMILES for 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen is CCCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.[H][H].
What is the InChIKey of 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen?
The InChIKey is KMDUQGBYCBEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O11.H2/c1-2-3-23-14-12(21)11(20)9(18)7(26-14)5-24-15-13(22)10(19)8(17)6(4-16)25-15;/h6-22H,2-5H2,1H3;1H.
What are the key properties of 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen?
2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen has a molecular weight of 386.39 g/mol, XLogP of -3.72, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen is sourced from PubChem (CID 159174958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).