(2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one

C28H30O6 — CID 70004751

IUPAC(2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C28H30O6/c1-30-25-24(29)23(34-27(32-3)26(25)31-2)19-33-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,25-27H,19H2,1-3H3/t23-,25+,26-,27+/m1/s1
InChIKeyRQVQOMQUZKDZMP-ZJHRHMSFSA-N
MW462.54 g/mol
LogP3.97
Rot. Bonds9

About (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one

(2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one (PubChem CID 70004751) has the molecular formula C28H30O6 and a molecular weight of 462.54 g/mol. Its IUPAC name is (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one.

Molecular Properties

Compound Name(2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one
PubChem CID70004751
Molecular FormulaC28H30O6
Molecular Weight462.54 g/mol
Exact Mass462.20
IUPAC Name(2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C28H30O6/c1-30-25-24(29)23(34-27(32-3)26(25)31-2)19-33-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,25-27H,19H2,1-3H3/t23-,25+,26-,27+/m1/s1
InChIKeyRQVQOMQUZKDZMP-ZJHRHMSFSA-N
XLogP3.97
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one?
The IUPAC name of (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one (CID 70004751) is (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one.
What is the SMILES notation for (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one?
The canonical SMILES for (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one is CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one?
The InChIKey is RQVQOMQUZKDZMP-ZJHRHMSFSA-N. The full InChI is InChI=1S/C28H30O6/c1-30-25-24(29)23(34-27(32-3)26(25)31-2)19-33-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,25-27H,19H2,1-3H3/t23-,25+,26-,27+/m1/s1.
What are the key properties of (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one?
(2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one has a molecular weight of 462.54 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-one is sourced from PubChem (CID 70004751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).