[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate

C29H30O7 — CID 23244298

IUPAC[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate
SMILESCOc1ccc(C(OC[C@H]2CO[C@@H](OC(C)=O)[C@@H]2OC(C)=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30O7/c1-20(30)35-27-22(18-33-28(27)36-21(2)31)19-34-29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)25-14-16-26(32-3)17-15-25/h4-17,22,27-28H,18-19H2,1-3H3/t22-,27-,28+/m1/s1
InChIKeyJZZYUUPPHPDVGH-OFEZKSIWSA-N
MW490.55 g/mol
LogP4.47
Rot. Bonds9

About [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate

[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate (PubChem CID 23244298) has the molecular formula C29H30O7 and a molecular weight of 490.55 g/mol. Its IUPAC name is [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate
PubChem CID23244298
Molecular FormulaC29H30O7
Molecular Weight490.55 g/mol
Exact Mass490.20
IUPAC Name[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate
SMILESCOc1ccc(C(OC[C@H]2CO[C@@H](OC(C)=O)[C@@H]2OC(C)=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30O7/c1-20(30)35-27-22(18-33-28(27)36-21(2)31)19-34-29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)25-14-16-26(32-3)17-15-25/h4-17,22,27-28H,18-19H2,1-3H3/t22-,27-,28+/m1/s1
InChIKeyJZZYUUPPHPDVGH-OFEZKSIWSA-N
XLogP4.47
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
[(2R,3S,4S,5R,6S)-4,5,6-triacetyloxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 12897868
[(2R,3R,4S)-2-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate
CID 15546265
ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075047
4-[[3-acetyloxy-4-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methoxy]-4-oxobutanoic acid
CID 59114129
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
[(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
N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide
CID 165010410
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
[(2S,3R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11945275
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate?
The IUPAC name of [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate (CID 23244298) is [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate is COc1ccc(C(OC[C@H]2CO[C@@H](OC(C)=O)[C@@H]2OC(C)=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate?
The InChIKey is JZZYUUPPHPDVGH-OFEZKSIWSA-N. The full InChI is InChI=1S/C29H30O7/c1-20(30)35-27-22(18-33-28(27)36-21(2)31)19-34-29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)25-14-16-26(32-3)17-15-25/h4-17,22,27-28H,18-19H2,1-3H3/t22-,27-,28+/m1/s1.
What are the key properties of [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate?
[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate has a molecular weight of 490.55 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate is sourced from PubChem (CID 23244298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).