(2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde

C27H28O5 — CID 10788908

IUPAC(2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
SMILES[2H][C@@]1(COCc2ccccc2)O[C@H](C=O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H28O5/c28-16-24-26(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-24)20-29-17-21-10-4-1-5-11-21/h1-16,24-27H,17-20H2/t24-,25+,26-,27-/m1/s1/i25D
InChIKeyFHNGZJPNWWCNKW-AJXICSRMSA-N
MW433.52 g/mol
LogP4.34
Rot. Bonds11

About (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde

(2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde (PubChem CID 10788908) has the molecular formula C27H28O5 and a molecular weight of 433.52 g/mol. Its IUPAC name is (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
PubChem CID10788908
Molecular FormulaC27H28O5
Molecular Weight433.52 g/mol
Exact Mass433.20
IUPAC Name(2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
SMILES[2H][C@@]1(COCc2ccccc2)O[C@H](C=O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H28O5/c28-16-24-26(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-24)20-29-17-21-10-4-1-5-11-21/h1-16,24-27H,17-20H2/t24-,25+,26-,27-/m1/s1/i25D
InChIKeyFHNGZJPNWWCNKW-AJXICSRMSA-N
XLogP4.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 10598895
(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
(2R,3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 11091791
(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde;(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
CID 88606195
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
2-[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde
CID 91195205
(1R,3R,5R,6R,8R,10R,11R,13S,15S,16S,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-5,10,20,25,30,35-hexakis(phenylmethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-15-carbaldehyde
CID 140537294
(2S,3S,4R,5R)-5-(hexadecoxymethyl)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 101388975
(3aR,5S,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro(2,3,4,5-13C4)furano[2,3-d](4,5-13C2)[1,3]dioxole-5-carbaldehyde
CID 11022391
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde?
The IUPAC name of (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde (CID 10788908) is (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde.
What is the SMILES notation for (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde?
The canonical SMILES for (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde is [2H][C@@]1(COCc2ccccc2)O[C@H](C=O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde?
The InChIKey is FHNGZJPNWWCNKW-AJXICSRMSA-N. The full InChI is InChI=1S/C27H28O5/c28-16-24-26(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-24)20-29-17-21-10-4-1-5-11-21/h1-16,24-27H,17-20H2/t24-,25+,26-,27-/m1/s1/i25D.
What are the key properties of (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde?
(2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde has a molecular weight of 433.52 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 10788908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).