(3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one

C27H26O6 — CID 135017911

IUPAC(3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one
SMILESO=C1O[C@H](C2COC(c3ccccc3)O2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H26O6/c28-26-25(30-17-20-12-6-2-7-13-20)24(29-16-19-10-4-1-5-11-19)23(33-26)22-18-31-27(32-22)21-14-8-3-9-15-21/h1-15,22-25,27H,16-18H2/t22?,23-,24+,25-,27?/m1/s1
InChIKeyFLQSDJBBOLSYSM-SSUJOWACSA-N
MW446.50 g/mol
LogP4.20
Rot. Bonds8

About (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one

(3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one (PubChem CID 135017911) has the molecular formula C27H26O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one
PubChem CID135017911
Molecular FormulaC27H26O6
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name(3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one
SMILESO=C1O[C@H](C2COC(c3ccccc3)O2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H26O6/c28-26-25(30-17-20-12-6-2-7-13-20)24(29-16-19-10-4-1-5-11-19)23(33-26)22-18-31-27(32-22)21-14-8-3-9-15-21/h1-15,22-25,27H,16-18H2/t22?,23-,24+,25-,27?/m1/s1
InChIKeyFLQSDJBBOLSYSM-SSUJOWACSA-N
XLogP4.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one with MolForge

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Related Compounds

(2R,3S,3aS,6aR)-2-benzyl-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 72191682
[(2R,3S,3aS,6aR)-5-oxo-2-[(S)-phenyl-[(E)-3-phenylprop-2-enoyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] (E)-3-phenylprop-2-enoate
CID 118715708
(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
CID 10907626
(3R,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one
CID 11004289
Dimethyl 3,5-diphenyltetrahydro-2,4-furandicarboxylate
CID 11836756
[(2R,3S,3aS,6aR)-5-oxo-2-[(R)-phenyl-[(E)-3-phenylprop-2-enoyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] (E)-3-phenylprop-2-enoate
CID 102264197
(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-yl acetate
CID 562057
1,6-Anhydro-4-O-benzyl-3-deoxy-beta-D-erythro-hexopyranos-2-ulose
CID 67930744
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(1-phenylethoxy)oxane-2-carboxylic acid
CID 54040250
benzyl alpha-D-glucopyranuronate
CID 97302335
(2S,3R,3aR,6aR)-2-acetyl-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10891115
(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)-methyl)dihydrofuran-2(3H)-one
CID 562066

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one?
The IUPAC name of (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one (CID 135017911) is (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one?
The canonical SMILES for (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one is O=C1O[C@H](C2COC(c3ccccc3)O2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one?
The InChIKey is FLQSDJBBOLSYSM-SSUJOWACSA-N. The full InChI is InChI=1S/C27H26O6/c28-26-25(30-17-20-12-6-2-7-13-20)24(29-16-19-10-4-1-5-11-19)23(33-26)22-18-31-27(32-22)21-14-8-3-9-15-21/h1-15,22-25,27H,16-18H2/t22?,23-,24+,25-,27?/m1/s1.
What are the key properties of (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one?
(3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one has a molecular weight of 446.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-(2-phenyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)oxolan-2-one is sourced from PubChem (CID 135017911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).