(2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal

C46H50O8 — CID 134853752

IUPAC(2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](C=O)OCc2ccccc2)O1
InChIInChI=1S/C46H50O8/c1-46(2)53-34-41(54-46)43(50-31-37-22-12-5-13-23-37)45(52-33-39-26-16-7-17-27-39)44(51-32-38-24-14-6-15-25-38)42(49-30-36-20-10-4-11-21-36)40(28-47)48-29-35-18-8-3-9-19-35/h3-28,40-45H,29-34H2,1-2H3/t40-,41+,42-,43+,44-,45+/m0/s1
InChIKeyZAUKSQBAPSYCIU-DEQJLZAJSA-N
MW730.90 g/mol
LogP8.26
Rot. Bonds21

About (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal

(2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal (PubChem CID 134853752) has the molecular formula C46H50O8 and a molecular weight of 730.90 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
PubChem CID134853752
Molecular FormulaC46H50O8
Molecular Weight730.90 g/mol
Exact Mass730.35
IUPAC Name(2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](C=O)OCc2ccccc2)O1
InChIInChI=1S/C46H50O8/c1-46(2)53-34-41(54-46)43(50-31-37-22-12-5-13-23-37)45(52-33-39-26-16-7-17-27-39)44(51-32-38-24-14-6-15-25-38)42(49-30-36-20-10-4-11-21-36)40(28-47)48-29-35-18-8-3-9-19-35/h3-28,40-45H,29-34H2,1-2H3/t40-,41+,42-,43+,44-,45+/m0/s1
InChIKeyZAUKSQBAPSYCIU-DEQJLZAJSA-N
XLogP8.26
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.90
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
CID 10907626
Benzyl 2,3,4-tri-O-benzyl-D-glucopyranosyluronate
CID 87960890
(2S,4S,5R,6R)-2-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440834
benzyl (2R)-2-[(3S,3aS,4R,5S,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-hydroxyacetate
CID 45482099
benzyl (2S)-2-[(3S,3aS,4R,5S,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-hydroxyacetate
CID 45482100
ethyl 2,2-difluoro-2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 58004513
Ethyl 2,2-difluoro-2-[2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 85083965
ethyl 2,2-difluoro-2-[(2R,3S,4R,5S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 16050316
ethyl 2,2-difluoro-2-[(2S,3S,4R,5S,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 16050317
ethyl 2,2-difluoro-2-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 16050344
ethyl 2,2-difluoro-2-[(2R,3R,5R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 134864618
ethyl (4S,5S,6S)-3,3-difluoro-2-oxo-4,5,6,7-tetrakis(phenylmethoxy)heptanoate
CID 134872714

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
The IUPAC name of (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal (CID 134853752) is (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal.
What is the SMILES notation for (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
The canonical SMILES for (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal is CC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](C=O)OCc2ccccc2)O1.
What is the InChIKey of (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
The InChIKey is ZAUKSQBAPSYCIU-DEQJLZAJSA-N. The full InChI is InChI=1S/C46H50O8/c1-46(2)53-34-41(54-46)43(50-31-37-22-12-5-13-23-37)45(52-33-39-26-16-7-17-27-39)44(51-32-38-24-14-6-15-25-38)42(49-30-36-20-10-4-11-21-36)40(28-47)48-29-35-18-8-3-9-19-35/h3-28,40-45H,29-34H2,1-2H3/t40-,41+,42-,43+,44-,45+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
(2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal has a molecular weight of 730.90 g/mol, XLogP of 8.26, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5,6-pentakis(phenylmethoxy)hexanal is sourced from PubChem (CID 134853752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).