(2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol

C17H28O8 — CID 102174381

IUPAC(2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol
SMILESCO[C@H]1O[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)[C@@H](C)[C@H]1O
InChIInChI=1S/C17H28O8/c1-7-8(18)14(19-6)20-9(7)10-11-12(23-16(2,3)22-11)13-15(21-10)25-17(4,5)24-13/h7-15,18H,1-6H3/t7-,8+,9-,10+,11-,12-,13+,14-,15+/m0/s1
InChIKeyBHOZRBGNVPBJHO-ZKGSJSDCSA-N
MW360.40 g/mol
LogP0.75
Rot. Bonds2

About (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol

(2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol (PubChem CID 102174381) has the molecular formula C17H28O8 and a molecular weight of 360.40 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol
PubChem CID102174381
Molecular FormulaC17H28O8
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name(2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol
SMILESCO[C@H]1O[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)[C@@H](C)[C@H]1O
InChIInChI=1S/C17H28O8/c1-7-8(18)14(19-6)20-9(7)10-11-12(23-16(2,3)22-11)13-15(21-10)25-17(4,5)24-13/h7-15,18H,1-6H3/t7-,8+,9-,10+,11-,12-,13+,14-,15+/m0/s1
InChIKeyBHOZRBGNVPBJHO-ZKGSJSDCSA-N
XLogP0.75
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol?
The IUPAC name of (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol (CID 102174381) is (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol is CO[C@H]1O[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)[C@@H](C)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol?
The InChIKey is BHOZRBGNVPBJHO-ZKGSJSDCSA-N. The full InChI is InChI=1S/C17H28O8/c1-7-8(18)14(19-6)20-9(7)10-11-12(23-16(2,3)22-11)13-15(21-10)25-17(4,5)24-13/h7-15,18H,1-6H3/t7-,8+,9-,10+,11-,12-,13+,14-,15+/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol?
(2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol has a molecular weight of 360.40 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-methoxy-4-methyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolan-3-ol is sourced from PubChem (CID 102174381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).