(3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane

C57H63NO10 — CID 134997110

IUPAC(3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane
SMILESCOC1OC([C@H]2CC3(OC(COCc4ccccc4)C(OCc4ccccc4)CC3OCc3ccccc3)ON2C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C57H63NO10/c1-58-48(52-53(63-38-45-27-15-6-16-28-45)54(64-39-46-29-17-7-18-30-46)55(56(59-2)66-52)65-40-47-31-19-8-20-32-47)34-57(68-58)51(62-37-44-25-13-5-14-26-44)33-49(61-36-43-23-11-4-12-24-43)50(67-57)41-60-35-42-21-9-3-10-22-42/h3-32,48-56H,33-41H2,1-2H3/t48-,49?,50?,51?,52?,53?,54?,55?,56?,57?/m1/s1
InChIKeyJERGGWIPKOQPKN-LMTZMZTNSA-N
MW922.13 g/mol
LogP9.62
Rot. Bonds21

About (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane

(3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane (PubChem CID 134997110) has the molecular formula C57H63NO10 and a molecular weight of 922.13 g/mol. Its IUPAC name is (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane
PubChem CID134997110
Molecular FormulaC57H63NO10
Molecular Weight922.13 g/mol
Exact Mass921.45
IUPAC Name(3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane
SMILESCOC1OC([C@H]2CC3(OC(COCc4ccccc4)C(OCc4ccccc4)CC3OCc3ccccc3)ON2C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C57H63NO10/c1-58-48(52-53(63-38-45-27-15-6-16-28-45)54(64-39-46-29-17-7-18-30-46)55(56(59-2)66-52)65-40-47-31-19-8-20-32-47)34-57(68-58)51(62-37-44-25-13-5-14-26-44)33-49(61-36-43-23-11-4-12-24-43)50(67-57)41-60-35-42-21-9-3-10-22-42/h3-32,48-56H,33-41H2,1-2H3/t48-,49?,50?,51?,52?,53?,54?,55?,56?,57?/m1/s1
InChIKeyJERGGWIPKOQPKN-LMTZMZTNSA-N
XLogP9.62
TPSA95.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.13
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane with MolForge

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Related Compounds

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(2R,3R,4R)-4-Benzyloxy-N-benzyloxycarbonyl-2-(benzyloxymethyl)pyrrolidin-3-yl 2,3,6-tri-O-benzyl-4-O-(2,3,4-tri-O-benzyl-6-fluoro-6-deoxy-beta-D-glucopyranosyl)-alpha-D-glucopyranoside
CID 86602923
(2R,3R,4R)-4-Benzyloxy-N-benzyloxycarbonyl-2-(benzyloxymethyl)pyrrolidin-3-yl 2,3-di-O-benzyl-6-fluoro-6-deoxy-4-O-(2,3,4-tri-O-benzyl-6-fluoro-6-deoxy-beta-D-glucopyranosyl)-alpha-D-glucopyranoside
CID 86602925
(2R,3R,4R)-N-Benzyloxycarbonyl-2-benzyloxymethyl-4-fluoro-pyrrolidin-3-yl 2,3,6-tri-O-benzyl-4-O-(2,3,4-tri-O-benzyl-6-deoxy-alpha-D-glucopyranosyl)-alpha-D-glucopyranoside
CID 86602935
(2R,3R,4R)-N-Benzyloxycarbonyl-4-benzyloxy-2-fluoromethyl-pyrrolidin-3-yl 2,3,6-tri-O-benzyl-4-O-(2,3,4-tri-O-benzyl-6-deoxy-beta-D-glucopyranosyl)-alpha-D-glucopyranoside
CID 86602936
benzyl (2R,3R,4S)-2-(fluoromethyl)-3-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxypyrrolidine-1-carboxylate
CID 87290340
benzyl (2S,3R,4S)-3-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5S,6S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 87290356
benzyl (2S,3R,4S)-4-fluoro-3-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 87290357
benzyl (2S,3R,4S)-3-[(2S,3R,4S,5S,6S)-6-(fluoromethyl)-5-[(2R,3R,4S,5S,6S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 87290371
benzyl (2R,3R,4R)-3-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6S)-6-(fluoromethyl)-5-[(2R,3R,4S,5S,6S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 140048981

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane (CID 134997110) is (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane is COC1OC([C@H]2CC3(OC(COCc4ccccc4)C(OCc4ccccc4)CC3OCc3ccccc3)ON2C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane?
The InChIKey is JERGGWIPKOQPKN-LMTZMZTNSA-N. The full InChI is InChI=1S/C57H63NO10/c1-58-48(52-53(63-38-45-27-15-6-16-28-45)54(64-39-46-29-17-7-18-30-46)55(56(59-2)66-52)65-40-47-31-19-8-20-32-47)34-57(68-58)51(62-37-44-25-13-5-14-26-44)33-49(61-36-43-23-11-4-12-24-43)50(67-57)41-60-35-42-21-9-3-10-22-42/h3-32,48-56H,33-41H2,1-2H3/t48-,49?,50?,51?,52?,53?,54?,55?,56?,57?/m1/s1.
What are the key properties of (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane?
(3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane has a molecular weight of 922.13 g/mol, XLogP of 9.62, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-methyl-6,8-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-1,10-dioxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 134997110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).