(2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

C29H58O7 — CID 159631615

IUPAC(2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESC[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1C.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1O
InChIInChI=1S/C15H30O3.C14H28O4/c1-10-11(2)17-12(9-16-14(3,4)5)13(10)18-15(6,7)8;1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h10-13H,9H2,1-8H3;9-12,15H,8H2,1-7H3/t10-,11-,12+,13?;9-,10+,11-,12?/m00/s1
InChIKeyMPEWTQJNXCLIQR-BPBRAIDVSA-N
MW518.78 g/mol
LogP5.54
Rot. Bonds6

About (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

(2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (PubChem CID 159631615) has the molecular formula C29H58O7 and a molecular weight of 518.78 g/mol. Its IUPAC name is (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
PubChem CID159631615
Molecular FormulaC29H58O7
Molecular Weight518.78 g/mol
Exact Mass518.42
IUPAC Name(2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESC[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1C.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1O
InChIInChI=1S/C15H30O3.C14H28O4/c1-10-11(2)17-12(9-16-14(3,4)5)13(10)18-15(6,7)8;1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h10-13H,9H2,1-8H3;9-12,15H,8H2,1-7H3/t10-,11-,12+,13?;9-,10+,11-,12?/m00/s1
InChIKeyMPEWTQJNXCLIQR-BPBRAIDVSA-N
XLogP5.54
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.78
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-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,3R,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2R,3R,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 159631618
(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-3-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 163451240
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 122537677
(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 167640782
CID 159551703
CID 159551703
6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
[4-acetyloxy-5-hydroxy-2-(methoxymethyl)-6-methyloxan-3-yl] acetate
CID 129093778
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
5-[(3S,4S,5R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-2,5,7,9,11-pentaza-10-silatricyclo[4.3.2.03,8]undeca-1(9),3(8),6-trien-4-one
CID 137329881
(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol
CID 158611097
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
[(3R,6R)-4-acetyloxy-3-hydroxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 118473583

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The IUPAC name of (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (CID 159631615) is (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The canonical SMILES for (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1C.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1O.
What is the InChIKey of (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The InChIKey is MPEWTQJNXCLIQR-BPBRAIDVSA-N. The full InChI is InChI=1S/C15H30O3.C14H28O4/c1-10-11(2)17-12(9-16-14(3,4)5)13(10)18-15(6,7)8;1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h10-13H,9H2,1-8H3;9-12,15H,8H2,1-7H3/t10-,11-,12+,13?;9-,10+,11-,12?/m00/s1.
What are the key properties of (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
(2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol has a molecular weight of 518.78 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is sourced from PubChem (CID 159631615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).