(2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]

C48H47NO5 — CID 102166276

IUPAC(2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]
SMILESc1ccc(COC[C@H]2O[C@@]3(C[C@H](c4ccccc4)Nc4ccccc43)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C48H47NO5/c1-6-18-36(19-7-1)31-50-35-44-45(51-32-37-20-8-2-9-21-37)46(52-33-38-22-10-3-11-23-38)47(53-34-39-24-12-4-13-25-39)48(54-44)30-43(40-26-14-5-15-27-40)49-42-29-17-16-28-41(42)48/h1-29,43-47,49H,30-35H2/t43-,44-,45-,46+,47-,48-/m1/s1
InChIKeyFRIDWYZKFDPLFS-BTINMGIUSA-N
MW717.91 g/mol
LogP9.81
Rot. Bonds14

About (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]

(2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane] (PubChem CID 102166276) has the molecular formula C48H47NO5 and a molecular weight of 717.91 g/mol. Its IUPAC name is (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane].

Molecular Properties

Compound Name(2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]
PubChem CID102166276
Molecular FormulaC48H47NO5
Molecular Weight717.91 g/mol
Exact Mass717.35
IUPAC Name(2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]
SMILESc1ccc(COC[C@H]2O[C@@]3(C[C@H](c4ccccc4)Nc4ccccc43)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C48H47NO5/c1-6-18-36(19-7-1)31-50-35-44-45(51-32-37-20-8-2-9-21-37)46(52-33-38-22-10-3-11-23-38)47(53-34-39-24-12-4-13-25-39)48(54-44)30-43(40-26-14-5-15-27-40)49-42-29-17-16-28-41(42)48/h1-29,43-47,49H,30-35H2/t43-,44-,45-,46+,47-,48-/m1/s1
InChIKeyFRIDWYZKFDPLFS-BTINMGIUSA-N
XLogP9.81
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 59.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane] with MolForge

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Related Compounds

(1S,2S,3R,4R,6S,9S,10S,11S,12R,13R)-1,2,3,10,11,12-hexakis(phenylmethoxy)-4,13-bis(phenylmethoxymethyl)-5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 101140893
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 101123709
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
2-[(3R,4S,5S,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 54345731
(1S,2R,3R,5S,8S,9S,10R,11S)-1,2,9,10-tetrakis(phenylmethoxy)-3,11-bis(phenylmethoxymethyl)-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane
CID 102255376
(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene
CID 134833756
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2,2-bis(prop-2-enyl)oxane
CID 11422071

Frequently Asked Questions

What is the IUPAC name of (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]?
The IUPAC name of (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane] (CID 102166276) is (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane].
What is the SMILES notation for (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]?
The canonical SMILES for (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane] is c1ccc(COC[C@H]2O[C@@]3(C[C@H](c4ccccc4)Nc4ccccc43)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]?
The InChIKey is FRIDWYZKFDPLFS-BTINMGIUSA-N. The full InChI is InChI=1S/C48H47NO5/c1-6-18-36(19-7-1)31-50-35-44-45(51-32-37-20-8-2-9-21-37)46(52-33-38-22-10-3-11-23-38)47(53-34-39-24-12-4-13-25-39)48(54-44)30-43(40-26-14-5-15-27-40)49-42-29-17-16-28-41(42)48/h1-29,43-47,49H,30-35H2/t43-,44-,45-,46+,47-,48-/m1/s1.
What are the key properties of (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane]?
(2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane] has a molecular weight of 717.91 g/mol, XLogP of 9.81, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'R,4R,4'S,5'R,6'R)-2-phenyl-3',4',5'-tris(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[2,3-dihydro-1H-quinoline-4,2'-oxane] is sourced from PubChem (CID 102166276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).