2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane

C28H30O3S — CID 134927771

IUPAC2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane
SMILESc1ccc(C(OC[C@H]2SC[C@H]2OC2CCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H30O3S/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)30-20-26-25(21-32-26)31-27-18-10-11-19-29-27/h1-9,12-17,25-27H,10-11,18-21H2/t25-,26-,27?/m1/s1
InChIKeyLXQLXQBMEJXKLV-QMMNWOAZSA-N
MW446.61 g/mol
LogP6.02
Rot. Bonds8

About 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane

2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane (PubChem CID 134927771) has the molecular formula C28H30O3S and a molecular weight of 446.61 g/mol. Its IUPAC name is 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane
PubChem CID134927771
Molecular FormulaC28H30O3S
Molecular Weight446.61 g/mol
Exact Mass446.19
IUPAC Name2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane
SMILESc1ccc(C(OC[C@H]2SC[C@H]2OC2CCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H30O3S/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)30-20-26-25(21-32-26)31-27-18-10-11-19-29-27/h1-9,12-17,25-27H,10-11,18-21H2/t25-,26-,27?/m1/s1
InChIKeyLXQLXQBMEJXKLV-QMMNWOAZSA-N
XLogP6.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.61
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Triphenyl-1,3-dioxane
CID 568919
methyl 2,3,4-tri-O-methyl-6-O-(triphenylmethyl)-alpha-d-glucopyranoside
CID 13844134
2-Ethylsulfanyl-6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxane
CID 164680044
2H-Pyran, 2-(diphenylmethoxy)tetrahydro-
CID 11043774
2-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)thian-2-yl]oxyoxane
CID 59141073
(2R,4R,5R,6R)-4-(benzenesulfinylmethyl)-5-methyl-2-phenyl-6-(2-phenylethyl)-1,3-dioxane
CID 46218358
(4S,6R)-2-phenyl-4,6-bis[(2-phenyl-1,3-dithian-2-yl)methyl]-1,3-dioxane
CID 57327238
2-Methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 134832275
5-Trityloxy-1,3-dioxane
CID 134836502
(6S,8aR)-6-ethylsulfanyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134850478
S-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl] ethanethioate
CID 134865248
2-[2-(3-Methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane
CID 134880390

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane?
The IUPAC name of 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane (CID 134927771) is 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane.
What is the SMILES notation for 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane?
The canonical SMILES for 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane is c1ccc(C(OC[C@H]2SC[C@H]2OC2CCCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane?
The InChIKey is LXQLXQBMEJXKLV-QMMNWOAZSA-N. The full InChI is InChI=1S/C28H30O3S/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)30-20-26-25(21-32-26)31-27-18-10-11-19-29-27/h1-9,12-17,25-27H,10-11,18-21H2/t25-,26-,27?/m1/s1.
What are the key properties of 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane?
2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane has a molecular weight of 446.61 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane is sourced from PubChem (CID 134927771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).