[(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium

C27H35O6SiU- — CID 59509737

IUPAC[(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium
SMILESCC(=O)OC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](OC(C)=O)[C@@H]1C.[U]
InChIInChI=1S/C27H35O6Si.U/c1-20-25(33-22(3)29)17-31-27(20,18-30-21(2)28)19-32-34(26(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24;/h7-17,20,25H,18-19H2,1-6H3;/q-1;/t20-,25-,27+;/m0./s1
InChIKeyZVQNPWUVKNHPCU-JDMHGGSLSA-N
MW721.69 g/mol
LogP3.62
Rot. Bonds8

About [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium

[(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium (PubChem CID 59509737) has the molecular formula C27H35O6SiU- and a molecular weight of 721.69 g/mol. Its IUPAC name is [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium.

Molecular Properties

Compound Name[(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium
PubChem CID59509737
Molecular FormulaC27H35O6SiU-
Molecular Weight721.69 g/mol
Exact Mass721.27
IUPAC Name[(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium
SMILESCC(=O)OC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](OC(C)=O)[C@@H]1C.[U]
InChIInChI=1S/C27H35O6Si.U/c1-20-25(33-22(3)29)17-31-27(20,18-30-21(2)28)19-32-34(26(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24;/h7-17,20,25H,18-19H2,1-6H3;/q-1;/t20-,25-,27+;/m0./s1
InChIKeyZVQNPWUVKNHPCU-JDMHGGSLSA-N
XLogP3.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500721.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 59483014
CID 59483014
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
[(2S,3S,4R,5R)-3,4-diacetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl acetate
CID 101063849
CID 59638519
CID 59638519
[(2R,3R,4S,5R)-4-acetyloxy-5-acetylsulfanyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 91077201
[(3aS,4R,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 12000417
methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
CID 67024439
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate
CID 101068299
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium?
The IUPAC name of [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium (CID 59509737) is [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium.
What is the SMILES notation for [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium?
The canonical SMILES for [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium is CC(=O)OC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](OC(C)=O)[C@@H]1C.[U].
What is the InChIKey of [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium?
The InChIKey is ZVQNPWUVKNHPCU-JDMHGGSLSA-N. The full InChI is InChI=1S/C27H35O6Si.U/c1-20-25(33-22(3)29)17-31-27(20,18-30-21(2)28)19-32-34(26(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24;/h7-17,20,25H,18-19H2,1-6H3;/q-1;/t20-,25-,27+;/m0./s1.
What are the key properties of [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium?
[(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium has a molecular weight of 721.69 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium is sourced from PubChem (CID 59509737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).