(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol

C11H24O6 — CID 15689262

IUPAC(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
SMILESCOC[C@H](OC)[C@@H](OC)[C@H](O)[C@@H](COC)OC
InChIInChI=1S/C11H24O6/c1-13-6-8(15-3)10(12)11(17-5)9(16-4)7-14-2/h8-12H,6-7H2,1-5H3/t8-,9+,10-,11-/m1/s1
InChIKeyUJXOUZJWWKZQGR-LMLFDSFASA-N
MW252.31 g/mol
LogP-0.31
Rot. Bonds10

About (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol

(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol (PubChem CID 15689262) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
PubChem CID15689262
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Name(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
SMILESCOC[C@H](OC)[C@@H](OC)[C@H](O)[C@@H](COC)OC
InChIInChI=1S/C11H24O6/c1-13-6-8(15-3)10(12)11(17-5)9(16-4)7-14-2/h8-12H,6-7H2,1-5H3/t8-,9+,10-,11-/m1/s1
InChIKeyUJXOUZJWWKZQGR-LMLFDSFASA-N
XLogP-0.31
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol 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,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
(2R,3S,4S,5R)-2,4-dihydroxy-3,5,6-trimethoxyhexanoic acid
CID 25209635
(2R,3S,4R,5R)-4-hydroxy-2,3,5,6-tetramethoxyhexanamide
CID 54343689
1,2,3-trimethoxy-4-methylpentane
CID 23384640
(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
CID 88961080
1,2,3,4,5-pentamethoxyhexane
CID 529418
2,3-dihydroxy-4,5-dimethoxypentanoic acid
CID 22664319
1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane
CID 123753623
(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane
CID 88544683
methyl 2,4,5,6,7-pentamethoxyheptanoate
CID 582206
[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
CID 14825854
(3S)-1,2,3-trimethoxypentane
CID 167509153

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol (CID 15689262) is (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol is COC[C@H](OC)[C@@H](OC)[C@H](O)[C@@H](COC)OC.
What is the InChIKey of (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol?
The InChIKey is UJXOUZJWWKZQGR-LMLFDSFASA-N. The full InChI is InChI=1S/C11H24O6/c1-13-6-8(15-3)10(12)11(17-5)9(16-4)7-14-2/h8-12H,6-7H2,1-5H3/t8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol?
(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol has a molecular weight of 252.31 g/mol, XLogP of -0.31, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol is sourced from PubChem (CID 15689262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).