benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate

C14H18O6 — CID 102329507

IUPACbenzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
SMILESCO[C@@H]1C[C@H](OC(=O)OCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C14H18O6/c1-17-13-7-11(12(8-15)19-13)20-14(16)18-9-10-5-3-2-4-6-10/h2-6,11-13,15H,7-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyKJYYZPUNQJBVRX-XQQFMLRXSA-N
MW282.29 g/mol
LogP1.46
Rot. Bonds5

About benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate

benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate (PubChem CID 102329507) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate.

Molecular Properties

Compound Namebenzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
PubChem CID102329507
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namebenzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
SMILESCO[C@@H]1C[C@H](OC(=O)OCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C14H18O6/c1-17-13-7-11(12(8-15)19-13)20-14(16)18-9-10-5-3-2-4-6-10/h2-6,11-13,15H,7-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyKJYYZPUNQJBVRX-XQQFMLRXSA-N
XLogP1.46
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate
CID 66978598
[(2R,3R,4S,6S)-3-acetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 70364158
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
[(2S,3R,4S)-2-(iodomethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl] benzoate
CID 67157471
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 161169848
benzyl [(2R,3R,4S,5S,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxycarbonyloxy)oxan-2-yl]methyl carbonate
CID 10930036
[(3R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite;5-methoxy-2-methyl-4-phenylmethoxybenzoic acid
CID 142600596
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 68926499
[(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol
CID 118136180

Frequently Asked Questions

What is the IUPAC name of benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate?
The IUPAC name of benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate (CID 102329507) is benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate.
What is the SMILES notation for benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate?
The canonical SMILES for benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate is CO[C@@H]1C[C@H](OC(=O)OCc2ccccc2)[C@@H](CO)O1.
What is the InChIKey of benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate?
The InChIKey is KJYYZPUNQJBVRX-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H18O6/c1-17-13-7-11(12(8-15)19-13)20-14(16)18-9-10-5-3-2-4-6-10/h2-6,11-13,15H,7-9H2,1H3/t11-,12+,13-/m0/s1.
What are the key properties of benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate?
benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate has a molecular weight of 282.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate is sourced from PubChem (CID 102329507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).