(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal

C27H30O5 — CID 101467862

IUPAC(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal
SMILESCO[C@@H]([C@@H](C=O)OC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C27H30O5/c1-29-24(19-28)26(31-3)25(30-2)20-32-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19,24-26H,20H2,1-3H3/t24-,25-,26+/m1/s1
InChIKeyGIEZQZONYQTGOR-CYXNTTPDSA-N
MW434.53 g/mol
LogP4.24
Rot. Bonds12

About (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal

(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal (PubChem CID 101467862) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal
PubChem CID101467862
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal
SMILESCO[C@@H]([C@@H](C=O)OC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C27H30O5/c1-29-24(19-28)26(31-3)25(30-2)20-32-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19,24-26H,20H2,1-3H3/t24-,25-,26+/m1/s1
InChIKeyGIEZQZONYQTGOR-CYXNTTPDSA-N
XLogP4.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal?
The IUPAC name of (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal (CID 101467862) is (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal.
What is the SMILES notation for (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal?
The canonical SMILES for (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal is CO[C@@H]([C@@H](C=O)OC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal?
The InChIKey is GIEZQZONYQTGOR-CYXNTTPDSA-N. The full InChI is InChI=1S/C27H30O5/c1-29-24(19-28)26(31-3)25(30-2)20-32-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19,24-26H,20H2,1-3H3/t24-,25-,26+/m1/s1.
What are the key properties of (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal?
(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal has a molecular weight of 434.53 g/mol, XLogP of 4.24, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal is sourced from PubChem (CID 101467862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).