1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione

C34H30FNO6 — CID 501367

IUPAC1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C34H30FNO6/c35-26-16-17-28-27(18-26)30(37)33(38)36(28)34-32(41-21-25-14-8-3-9-15-25)31(40-20-24-12-6-2-7-13-24)29(42-34)22-39-19-23-10-4-1-5-11-23/h1-18,29,31-32,34H,19-22H2/t29-,31-,32-,34-/m1/s1
InChIKeyYSGZYXILDNENGQ-UVBUXLLRSA-N
MW567.61 g/mol
LogP5.47
Rot. Bonds11

About 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione

1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione (PubChem CID 501367) has the molecular formula C34H30FNO6 and a molecular weight of 567.61 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione
PubChem CID501367
Molecular FormulaC34H30FNO6
Molecular Weight567.61 g/mol
Exact Mass567.21
IUPAC Name1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C34H30FNO6/c35-26-16-17-28-27(18-26)30(37)33(38)36(28)34-32(41-21-25-14-8-3-9-15-25)31(40-20-24-12-6-2-7-13-24)29(42-34)22-39-19-23-10-4-1-5-11-23/h1-18,29,31-32,34H,19-22H2/t29-,31-,32-,34-/m1/s1
InChIKeyYSGZYXILDNENGQ-UVBUXLLRSA-N
XLogP5.47
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.61
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 87748609
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(5S)-5-propan-2-yl-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-oxazolidine-2,4-dione
CID 11802551
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
1-[(2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71500431
1-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrole-2-carbaldehyde
CID 87396646
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]imidazole
CID 11261834

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione (CID 501367) is 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione is O=C1C(=O)N([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2ccc(F)cc21.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione?
The InChIKey is YSGZYXILDNENGQ-UVBUXLLRSA-N. The full InChI is InChI=1S/C34H30FNO6/c35-26-16-17-28-27(18-26)30(37)33(38)36(28)34-32(41-21-25-14-8-3-9-15-25)31(40-20-24-12-6-2-7-13-24)29(42-34)22-39-19-23-10-4-1-5-11-23/h1-18,29,31-32,34H,19-22H2/t29-,31-,32-,34-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione?
1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione has a molecular weight of 567.61 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione is sourced from PubChem (CID 501367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).