(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol

C24H24O5 — CID 54540379

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol
SMILESOC[C@H]1OC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H24O5/c25-16-20-21(26)22(27)23(28-20)29-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-23,25-27H,16H2/t20-,21-,22-,23?/m1/s1
InChIKeyZCTJYSPNBKQVIV-YRNFEDNZSA-N
MW392.45 g/mol
LogP2.43
Rot. Bonds6

About (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol (PubChem CID 54540379) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol
PubChem CID54540379
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol
SMILESOC[C@H]1OC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H24O5/c25-16-20-21(26)22(27)23(28-20)29-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-23,25-27H,16H2/t20-,21-,22-,23?/m1/s1
InChIKeyZCTJYSPNBKQVIV-YRNFEDNZSA-N
XLogP2.43
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol
CID 174562142
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol
CID 172863653
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] benzoate
CID 4129755
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67777099
[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
CID 90897756
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate;dihydrochloride
CID 174926866

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol (CID 54540379) is (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol is OC[C@H]1OC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol?
The InChIKey is ZCTJYSPNBKQVIV-YRNFEDNZSA-N. The full InChI is InChI=1S/C24H24O5/c25-16-20-21(26)22(27)23(28-20)29-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-23,25-27H,16H2/t20-,21-,22-,23?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol has a molecular weight of 392.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol is sourced from PubChem (CID 54540379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).