tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate

C25H30O6 — CID 101338434

IUPACtert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@@H]1C=CO[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C25H30O6/c1-25(2,3)31-24(26)30-21-14-15-28-22(18-27-16-19-10-6-4-7-11-19)23(21)29-17-20-12-8-5-9-13-20/h4-15,21-23H,16-18H2,1-3H3/t21-,22-,23+/m1/s1
InChIKeyBMMCJOOREBZUAY-ZLNRFVROSA-N
MW426.51 g/mol
LogP5.02
Rot. Bonds8

About tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate

tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate (PubChem CID 101338434) has the molecular formula C25H30O6 and a molecular weight of 426.51 g/mol. Its IUPAC name is tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate
PubChem CID101338434
Molecular FormulaC25H30O6
Molecular Weight426.51 g/mol
Exact Mass426.20
IUPAC Nametert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@@H]1C=CO[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C25H30O6/c1-25(2,3)31-24(26)30-21-14-15-28-22(18-27-16-19-10-6-4-7-11-19)23(21)29-17-20-12-8-5-9-13-20/h4-15,21-23H,16-18H2,1-3H3/t21-,22-,23+/m1/s1
InChIKeyBMMCJOOREBZUAY-ZLNRFVROSA-N
XLogP5.02
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate with MolForge

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Related Compounds

(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-5-(2,2-dimethylpropanoyloxy)-6-[(2R,3R,4S,5R,6S)-5-(2,2-dimethylpropanoyloxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-yl] 2,2-dimethylpropanoate
CID 10820396
(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 58859609
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
CID 14605865
(2R,3R,4R,5S)-2-(methoxymethyl)-3,4,5-tris(phenylmethoxy)-2,3,4,5-tetrahydrooxepine
CID 102415995
(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane
CID 101496778
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoic acid
CID 10604949
[(3R,4S,6R)-2-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134883078
tert-butyl (2R,3R,4S,5S,6R,7R)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,8-dioxaspiro[2.5]octane-2-carboxylate
CID 101168393
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate
CID 10758317

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate?
The IUPAC name of tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate (CID 101338434) is tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate.
What is the SMILES notation for tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate?
The canonical SMILES for tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate is CC(C)(C)OC(=O)O[C@@H]1C=CO[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate?
The InChIKey is BMMCJOOREBZUAY-ZLNRFVROSA-N. The full InChI is InChI=1S/C25H30O6/c1-25(2,3)31-24(26)30-21-14-15-28-22(18-27-16-19-10-6-4-7-11-19)23(21)29-17-20-12-8-5-9-13-20/h4-15,21-23H,16-18H2,1-3H3/t21-,22-,23+/m1/s1.
What are the key properties of tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate?
tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate has a molecular weight of 426.51 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate is sourced from PubChem (CID 101338434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).