[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate

C29H30O7 — CID 171125559

IUPAC[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate
SMILESCC(=O)OC1CC(O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C29H30O7/c1-20(30)34-25-18-27(32)36-26(28(25)35-21(2)31)19-33-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-28,32H,18-19H2,1-2H3/t25?,26?,27?,28-/m0/s1
InChIKeyYCTODQIPQYCGML-OYGGZRDRSA-N
MW490.55 g/mol
LogP3.97
Rot. Bonds8

About [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate

[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate (PubChem CID 171125559) has the molecular formula C29H30O7 and a molecular weight of 490.55 g/mol. Its IUPAC name is [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate
PubChem CID171125559
Molecular FormulaC29H30O7
Molecular Weight490.55 g/mol
Exact Mass490.20
IUPAC Name[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate
SMILESCC(=O)OC1CC(O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C29H30O7/c1-20(30)34-25-18-27(32)36-26(28(25)35-21(2)31)19-33-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-28,32H,18-19H2,1-2H3/t25?,26?,27?,28-/m0/s1
InChIKeyYCTODQIPQYCGML-OYGGZRDRSA-N
XLogP3.97
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(3R,6R)-4,5-diacetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171123435
[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
CID 102461653
[(2R,3S,4S,5R,6S)-4,5,6-triacetyloxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 12897868
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
[(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
[(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
[(2S,3R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11945275
[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 102013121
[(1R,2R,3R,4R)-2,3-dihydroxy-4-(trityloxymethyl)cyclopentyl] acetate
CID 10025805
[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate?
The IUPAC name of [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate (CID 171125559) is [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate is CC(=O)OC1CC(O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(C)=O.
What is the InChIKey of [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate?
The InChIKey is YCTODQIPQYCGML-OYGGZRDRSA-N. The full InChI is InChI=1S/C29H30O7/c1-20(30)34-25-18-27(32)36-26(28(25)35-21(2)31)19-33-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-28,32H,18-19H2,1-2H3/t25?,26?,27?,28-/m0/s1.
What are the key properties of [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate?
[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate has a molecular weight of 490.55 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 171125559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).