[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate

C30H43NO7Si — CID 11421579

IUPAC[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate
SMILESCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1OC(C)=O
InChIInChI=1S/C30H43NO7Si/c1-21(32)36-26-25(31-28(33)38-29(2,3)4)19-22(37-27(26)34-8)20-35-39(30(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-27H,19-20H2,1-8H3,(H,31,33)/t22-,25-,26+,27+/m0/s1
InChIKeyPFTDLRBANODYEU-WOTGAKFBSA-N
MW557.76 g/mol
LogP4.15
Rot. Bonds8

About [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate

[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate (PubChem CID 11421579) has the molecular formula C30H43NO7Si and a molecular weight of 557.76 g/mol. Its IUPAC name is [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate
PubChem CID11421579
Molecular FormulaC30H43NO7Si
Molecular Weight557.76 g/mol
Exact Mass557.28
IUPAC Name[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate
SMILESCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1OC(C)=O
InChIInChI=1S/C30H43NO7Si/c1-21(32)36-26-25(31-28(33)38-29(2,3)4)19-22(37-27(26)34-8)20-35-39(30(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-27H,19-20H2,1-8H3,(H,31,33)/t22-,25-,26+,27+/m0/s1
InChIKeyPFTDLRBANODYEU-WOTGAKFBSA-N
XLogP4.15
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate with MolForge

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Related Compounds

[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate
CID 10792833
[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-yl] acetate
CID 10718012
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-yl]oxyoxan-2-yl]methyl acetate
CID 57386748
[(2R,3R,4S,5R)-4-acetyloxy-5-acetylsulfanyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 91077201
[(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
CID 166444221
[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethynyloxolan-3-yl] acetate
CID 140772716
tert-butyl 2-[(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxy-3,3-dimethyloxan-2-yl]acetate
CID 10918604
[(2R,3S,4S,5S,6R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxan-3-yl] acetate
CID 44607200
[(2R)-2-acetyloxy-2-[(2R,3S,4S,5S)-3,4-diacetyloxy-5-[(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-trimethoxyoxan-3-yl]oxyoxolan-2-yl]ethyl] acetate
CID 71500619
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-amino-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 50937055

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate (CID 11421579) is [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate is CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate?
The InChIKey is PFTDLRBANODYEU-WOTGAKFBSA-N. The full InChI is InChI=1S/C30H43NO7Si/c1-21(32)36-26-25(31-28(33)38-29(2,3)4)19-22(37-27(26)34-8)20-35-39(30(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-27H,19-20H2,1-8H3,(H,31,33)/t22-,25-,26+,27+/m0/s1.
What are the key properties of [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate?
[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate has a molecular weight of 557.76 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate is sourced from PubChem (CID 11421579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).