(1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol

C36H44O6 — CID 67245722

IUPAC(1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)CCC[C@@H]2C2CC2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C36H44O6/c1-25-32(38-22-26-12-5-2-6-13-26)34(39-23-27-14-7-3-8-15-27)35(40-24-28-16-9-4-10-17-28)36(41-25)42-33-30(29-20-21-29)18-11-19-31(33)37/h2-10,12-17,25,29-37H,11,18-24H2,1H3/t25-,30+,31+,32+,33+,34+,35-,36-/m0/s1
InChIKeyYLCQGOGQVZWQEY-YOOJUZHJSA-N
MW572.74 g/mol
LogP6.44
Rot. Bonds12

About (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol

(1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol (PubChem CID 67245722) has the molecular formula C36H44O6 and a molecular weight of 572.74 g/mol. Its IUPAC name is (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
PubChem CID67245722
Molecular FormulaC36H44O6
Molecular Weight572.74 g/mol
Exact Mass572.31
IUPAC Name(1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)CCC[C@@H]2C2CC2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C36H44O6/c1-25-32(38-22-26-12-5-2-6-13-26)34(39-23-27-14-7-3-8-15-27)35(40-24-28-16-9-4-10-17-28)36(41-25)42-33-30(29-20-21-29)18-11-19-31(33)37/h2-10,12-17,25,29-37H,11,18-24H2,1H3/t25-,30+,31+,32+,33+,34+,35-,36-/m0/s1
InChIKeyYLCQGOGQVZWQEY-YOOJUZHJSA-N
XLogP6.44
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
CID 118424571
6-methyl-2-[6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxyoxan-3-ol
CID 163088861
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
(2R,3S,4S,5R,6R)-2-methyl-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11377812
(2S,3R,4R,5S,6S)-3,4-dimethoxy-2-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-5-phenylmethoxy-2-[(2S,3S,4R,5R,6R)-4,5,6-trimethoxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-6-methyl-5-phenylmethoxyoxane
CID 10259312
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2R,3R,4S,5R,6R)-2-methoxy-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101143250
(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 11766545

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
The IUPAC name of (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol (CID 67245722) is (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
The canonical SMILES for (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol is C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CCC[C@@H]2C2CC2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
The InChIKey is YLCQGOGQVZWQEY-YOOJUZHJSA-N. The full InChI is InChI=1S/C36H44O6/c1-25-32(38-22-26-12-5-2-6-13-26)34(39-23-27-14-7-3-8-15-27)35(40-24-28-16-9-4-10-17-28)36(41-25)42-33-30(29-20-21-29)18-11-19-31(33)37/h2-10,12-17,25,29-37H,11,18-24H2,1H3/t25-,30+,31+,32+,33+,34+,35-,36-/m0/s1.
What are the key properties of (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
(1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol has a molecular weight of 572.74 g/mol, XLogP of 6.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 67245722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).