benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate

C24H28O8 — CID 170293619

IUPACbenzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate
SMILESCO[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OC(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C24H28O8/c1-24(2)20(32-23(26)29-15-18-12-8-5-9-13-18)19(31-21(24)27-3)16-30-22(25)28-14-17-10-6-4-7-11-17/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21-/m1/s1
InChIKeyMZQZHTYDOUZGAX-NJDAHSKKSA-N
MW444.48 g/mol
LogP4.46
Rot. Bonds8

About benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate

benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate (PubChem CID 170293619) has the molecular formula C24H28O8 and a molecular weight of 444.48 g/mol. Its IUPAC name is benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate.

Molecular Properties

Compound Namebenzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate
PubChem CID170293619
Molecular FormulaC24H28O8
Molecular Weight444.48 g/mol
Exact Mass444.18
IUPAC Namebenzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate
SMILESCO[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OC(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C24H28O8/c1-24(2)20(32-23(26)29-15-18-12-8-5-9-13-18)19(31-21(24)27-3)16-30-22(25)28-14-17-10-6-4-7-11-17/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21-/m1/s1
InChIKeyMZQZHTYDOUZGAX-NJDAHSKKSA-N
XLogP4.46
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate with MolForge

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Related Compounds

benzyl [(2R,3R,4S,5S,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxycarbonyloxy)oxan-2-yl]methyl carbonate
CID 10930036
[(2S,3R,4S,5R,6R)-3-acetyloxy-2-methoxy-5-phenylmethoxycarbonyloxy-6-(phenylmethoxycarbonyloxymethyl)oxan-4-yl] acetate
CID 102239275
benzyl [3-(ethylamino)oxiran-2-yl]methyl carbonate
CID 175511207
bis[[(2R,3R,4S)-4-fluoro-5-hydroxy-3-phenylmethoxycarbonyloxyoxolan-2-yl]methyl] carbonate
CID 118108955
[(2R,3S,4R)-3,5-dibenzoyloxy-4-methyl-4-(phenylmethoxymethyl)oxolan-2-yl]methyl benzoate
CID 134348979
benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate
CID 169299290
(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
CID 102188861
[(2R,3S,4R)-3-benzoyloxy-4-ethenyl-5-methoxy-4-methyloxolan-2-yl]methyl benzoate
CID 134352866
benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
CID 102329507
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
[(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate
CID 170293492
[(3R,5S)-3,4,5-tribenzoyloxy-4-methyloxolan-2-yl]methyl benzoate
CID 91324397

Frequently Asked Questions

What is the IUPAC name of benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate?
The IUPAC name of benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate (CID 170293619) is benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate.
What is the SMILES notation for benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate?
The canonical SMILES for benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate is CO[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OC(=O)OCc2ccccc2)C1(C)C.
What is the InChIKey of benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate?
The InChIKey is MZQZHTYDOUZGAX-NJDAHSKKSA-N. The full InChI is InChI=1S/C24H28O8/c1-24(2)20(32-23(26)29-15-18-12-8-5-9-13-18)19(31-21(24)27-3)16-30-22(25)28-14-17-10-6-4-7-11-17/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21-/m1/s1.
What are the key properties of benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate?
benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate has a molecular weight of 444.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate is sourced from PubChem (CID 170293619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).