(2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal

C38H42O7 — CID 14237997

IUPAC(2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](C=O)OCc2ccccc2)O1
InChIInChI=1S/C38H42O7/c1-38(2)44-28-34(45-38)36(42-26-31-19-11-5-12-20-31)37(43-27-32-21-13-6-14-22-32)35(41-25-30-17-9-4-10-18-30)33(23-39)40-24-29-15-7-3-8-16-29/h3-23,33-37H,24-28H2,1-2H3/t33-,34+,35-,36+,37-/m0/s1
InChIKeyDJRFNILXVNZMBP-JALLVGJNSA-N
MW610.75 g/mol
LogP6.68
Rot. Bonds17

About (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal

(2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal (PubChem CID 14237997) has the molecular formula C38H42O7 and a molecular weight of 610.75 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal
PubChem CID14237997
Molecular FormulaC38H42O7
Molecular Weight610.75 g/mol
Exact Mass610.29
IUPAC Name(2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](C=O)OCc2ccccc2)O1
InChIInChI=1S/C38H42O7/c1-38(2)44-28-34(45-38)36(42-26-31-19-11-5-12-20-31)37(43-27-32-21-13-6-14-22-32)35(41-25-30-17-9-4-10-18-30)33(23-39)40-24-29-15-7-3-8-16-29/h3-23,33-37H,24-28H2,1-2H3/t33-,34+,35-,36+,37-/m0/s1
InChIKeyDJRFNILXVNZMBP-JALLVGJNSA-N
XLogP6.68
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.75
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(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
Benzyl 2,3,4-tri-O-benzyl-D-glucopyranosyluronate
CID 87960890
(2S,4S,5R,6R)-2-pentyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440832
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
(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)-methyl)dihydrofuran-2(3H)-one
CID 562066
ethyl 2,2-difluoro-2-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 16050344
(2S,3R,4S,5R)-4-fluoro-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 21586037
ethyl (4S,5S,6S)-3,3-difluoro-2-oxo-4,5,6,7-tetrakis(phenylmethoxy)heptanoate
CID 134872714
3,4,4,5,5,6,6,6-octafluoro-1-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]hexan-2-one
CID 134933073

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal?
The IUPAC name of (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal (CID 14237997) is (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal.
What is the SMILES notation for (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal?
The canonical SMILES for (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal is CC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](C=O)OCc2ccccc2)O1.
What is the InChIKey of (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal?
The InChIKey is DJRFNILXVNZMBP-JALLVGJNSA-N. The full InChI is InChI=1S/C38H42O7/c1-38(2)44-28-34(45-38)36(42-26-31-19-11-5-12-20-31)37(43-27-32-21-13-6-14-22-32)35(41-25-30-17-9-4-10-18-30)33(23-39)40-24-29-15-7-3-8-16-29/h3-23,33-37H,24-28H2,1-2H3/t33-,34+,35-,36+,37-/m0/s1.
What are the key properties of (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal?
(2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal has a molecular weight of 610.75 g/mol, XLogP of 6.68, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4,5-tetrakis(phenylmethoxy)pentanal is sourced from PubChem (CID 14237997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).