2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol

C15H30O11 — CID 143929105

IUPAC2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol
SMILESCCCC1OC(O)C(O)C(O)C1O.COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C8H16O5.C7H14O6/c1-2-3-4-5(9)6(10)7(11)8(12)13-4;1-12-7-6(11)5(10)4(9)3(2-8)13-7/h4-12H,2-3H2,1H3;3-11H,2H2,1H3
InChIKeyLBNVVUCMVNIFRR-UHFFFAOYSA-N
MW386.39 g/mol
LogP-3.98
Rot. Bonds4

About 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol

2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol (PubChem CID 143929105) has the molecular formula C15H30O11 and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol
PubChem CID143929105
Molecular FormulaC15H30O11
Molecular Weight386.39 g/mol
Exact Mass386.18
IUPAC Name2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol
SMILESCCCC1OC(O)C(O)C(O)C1O.COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C8H16O5.C7H14O6/c1-2-3-4-5(9)6(10)7(11)8(12)13-4;1-12-7-6(11)5(10)4(9)3(2-8)13-7/h4-12H,2-3H2,1H3;3-11H,2H2,1H3
InChIKeyLBNVVUCMVNIFRR-UHFFFAOYSA-N
XLogP-3.98
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500386.39
LogP ≤ 5-3.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 100932011
(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol
CID 177463327
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;methanol;molecular iodine;hydroiodide
CID 162076017
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol?
The IUPAC name of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol (CID 143929105) is 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol is CCCC1OC(O)C(O)C(O)C1O.COC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol?
The InChIKey is LBNVVUCMVNIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5.C7H14O6/c1-2-3-4-5(9)6(10)7(11)8(12)13-4;1-12-7-6(11)5(10)4(9)3(2-8)13-7/h4-12H,2-3H2,1H3;3-11H,2H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol?
2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol has a molecular weight of 386.39 g/mol, XLogP of -3.98, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 143929105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).