(2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol

C17H32O5 — CID 130240687

IUPAC(2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol
SMILESCO[C@H]1CC([C@H]2[C@H](C)O[C@@H](C(C)C)C[C@@H]2OC)O[C@@H](C)C1O
InChIInChI=1S/C17H32O5/c1-9(2)12-7-13(19-5)16(10(3)21-12)14-8-15(20-6)17(18)11(4)22-14/h9-18H,7-8H2,1-6H3/t10-,11-,12+,13-,14?,15-,16-,17?/m0/s1
InChIKeyMDGOOCMTEUODBR-GVHIBCFLSA-N
MW316.44 g/mol
LogP2.00
Rot. Bonds4

About (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol

(2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol (PubChem CID 130240687) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol
PubChem CID130240687
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol
SMILESCO[C@H]1CC([C@H]2[C@H](C)O[C@@H](C(C)C)C[C@@H]2OC)O[C@@H](C)C1O
InChIInChI=1S/C17H32O5/c1-9(2)12-7-13(19-5)16(10(3)21-12)14-8-15(20-6)17(18)11(4)22-14/h9-18H,7-8H2,1-6H3/t10-,11-,12+,13-,14?,15-,16-,17?/m0/s1
InChIKeyMDGOOCMTEUODBR-GVHIBCFLSA-N
XLogP2.00
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol?
The IUPAC name of (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol (CID 130240687) is (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol.
What is the SMILES notation for (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol?
The canonical SMILES for (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol is CO[C@H]1CC([C@H]2[C@H](C)O[C@@H](C(C)C)C[C@@H]2OC)O[C@@H](C)C1O.
What is the InChIKey of (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol?
The InChIKey is MDGOOCMTEUODBR-GVHIBCFLSA-N. The full InChI is InChI=1S/C17H32O5/c1-9(2)12-7-13(19-5)16(10(3)21-12)14-8-15(20-6)17(18)11(4)22-14/h9-18H,7-8H2,1-6H3/t10-,11-,12+,13-,14?,15-,16-,17?/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol?
(2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol has a molecular weight of 316.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-6-[(2S,3S,4S,6R)-4-methoxy-2-methyl-6-propan-2-yloxan-3-yl]-2-methyloxan-3-ol is sourced from PubChem (CID 130240687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).