[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate

C28H28O6 — CID 102461653

IUPAC[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1C[C@H](OC(C)=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C28H28O6/c1-20(29)32-25-18-27(33-21(2)30)34-26(25)19-31-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-27H,18-19H2,1-2H3/t25-,26+,27?/m0/s1
InChIKeyUHWMILGSFXVJHM-AJRFNQODSA-N
MW460.53 g/mol
LogP4.60
Rot. Bonds8

About [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate

[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate (PubChem CID 102461653) has the molecular formula C28H28O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
PubChem CID102461653
Molecular FormulaC28H28O6
Molecular Weight460.53 g/mol
Exact Mass460.19
IUPAC Name[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1C[C@H](OC(C)=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C28H28O6/c1-20(29)32-25-18-27(33-21(2)30)34-26(25)19-31-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-27H,18-19H2,1-2H3/t25-,26+,27?/m0/s1
InChIKeyUHWMILGSFXVJHM-AJRFNQODSA-N
XLogP4.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.60
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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Related Compounds

[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate
CID 171125559
[(3R,6R)-4,5-diacetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171123435
[(2R,3S,4S,5R,6S)-4,5,6-triacetyloxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 12897868
[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate
CID 171123467
[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
[(1R,2R,3R,4R)-2,3-dihydroxy-4-(trityloxymethyl)cyclopentyl] acetate
CID 10025805
[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 92853375
[(2R,3S,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171395870
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,3R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11945275
CID 101375530
CID 101375530
[(4aS,6R,7S,7aR)-2,2-dimethyl-6-(trityloxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate
CID 126968723

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate (CID 102461653) is [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate is CC(=O)OC1C[C@H](OC(C)=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate?
The InChIKey is UHWMILGSFXVJHM-AJRFNQODSA-N. The full InChI is InChI=1S/C28H28O6/c1-20(29)32-25-18-27(33-21(2)30)34-26(25)19-31-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-27H,18-19H2,1-2H3/t25-,26+,27?/m0/s1.
What are the key properties of [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate?
[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate has a molecular weight of 460.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 102461653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).