[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate

C19H26O6S — CID 134841126

IUPAC[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate
SMILESCCS[C@H]1OC(C)[C@@H](OC(C)=O)C(OC(C)=O)C1OCc1ccccc1
InChIInChI=1S/C19H26O6S/c1-5-26-19-18(22-11-15-9-7-6-8-10-15)17(25-14(4)21)16(12(2)23-19)24-13(3)20/h6-10,12,16-19H,5,11H2,1-4H3/t12?,16-,17?,18?,19-/m1/s1
InChIKeyHUYAYSMRLVTRPT-VZFUPFBTSA-N
MW382.48 g/mol
LogP2.93
Rot. Bonds7

About [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate

[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate (PubChem CID 134841126) has the molecular formula C19H26O6S and a molecular weight of 382.48 g/mol. Its IUPAC name is [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate
PubChem CID134841126
Molecular FormulaC19H26O6S
Molecular Weight382.48 g/mol
Exact Mass382.15
IUPAC Name[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate
SMILESCCS[C@H]1OC(C)[C@@H](OC(C)=O)C(OC(C)=O)C1OCc1ccccc1
InChIInChI=1S/C19H26O6S/c1-5-26-19-18(22-11-15-9-7-6-8-10-15)17(25-14(4)21)16(12(2)23-19)24-13(3)20/h6-10,12,16-19H,5,11H2,1-4H3/t12?,16-,17?,18?,19-/m1/s1
InChIKeyHUYAYSMRLVTRPT-VZFUPFBTSA-N
XLogP2.93
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate with MolForge

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Related Compounds

[(3R,6S)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 138981486
[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate
CID 11546468
[(2S,3R,4R,5S,6S)-6-methyl-2-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 14131744
methyl (2S,3S,4S,5R,6S)-5-acetyloxy-6-ethylsulfanyl-3,4-bis(phenylmethoxy)oxane-2-carboxylate
CID 10322670
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755
[(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] acetate
CID 10101534
[(2S,3R,4R,5S,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-propoxyoxan-3-yl] acetate
CID 10667472
[(2S,3S,4R,5R,6S)-6-chloro-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 15663134
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine
CID 24827705
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxane
CID 101480240

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate?
The IUPAC name of [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate (CID 134841126) is [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate.
What is the SMILES notation for [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate?
The canonical SMILES for [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate is CCS[C@H]1OC(C)[C@@H](OC(C)=O)C(OC(C)=O)C1OCc1ccccc1.
What is the InChIKey of [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate?
The InChIKey is HUYAYSMRLVTRPT-VZFUPFBTSA-N. The full InChI is InChI=1S/C19H26O6S/c1-5-26-19-18(22-11-15-9-7-6-8-10-15)17(25-14(4)21)16(12(2)23-19)24-13(3)20/h6-10,12,16-19H,5,11H2,1-4H3/t12?,16-,17?,18?,19-/m1/s1.
What are the key properties of [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate?
[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate has a molecular weight of 382.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate is sourced from PubChem (CID 134841126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).