phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate

C88H134N8O22Si5 — CID 25050957

IUPACphenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](NC(=O)Oc3ccccc3)C[C@H](NC(=O)Oc3ccccc3)[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(=O)Oc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1O[C@@H](CNC(=O)Oc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)Oc1ccccc1
InChIInChI=1S/C88H134N8O22Si5/c1-84(2,3)119(16,17)103-55-66-71(113-77-68(95-83(102)109-60-49-39-30-40-50-60)73(117-122(22,23)87(10,11)12)72(116-121(20,21)86(7,8)9)65(110-77)54-90-79(98)105-56-41-31-26-32-42-56)75(118-123(24,25)88(13,14)15)78(111-66)114-74-69(97)62(92-80(99)106-57-43-33-27-34-44-57)52-63(93-81(100)107-58-45-35-28-36-46-58)70(74)112-76-67(94-82(101)108-59-47-37-29-38-48-59)64(51-61(104-76)53-91-96-89)115-120(18,19)85(4,5)6/h26-50,61-78,97H,51-55H2,1-25H3,(H,90,98)(H,92,99)(H,93,100)(H,94,101)(H,95,102)/t61-,62+,63-,64-,65-,66+,67+,68+,69-,70+,71-,72+,73+,74+,75+,76+,77+,78+/m0/s1
InChIKeyPPFHIWPHSMAJFJ-QZNDPHGCSA-N
MW1796.50 g/mol
LogP17.78
Rot. Bonds30

About phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate

phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate (PubChem CID 25050957) has the molecular formula C88H134N8O22Si5 and a molecular weight of 1796.50 g/mol. Its IUPAC name is phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate
PubChem CID25050957
Molecular FormulaC88H134N8O22Si5
Molecular Weight1796.50 g/mol
Exact Mass1794.85
IUPAC Namephenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](NC(=O)Oc3ccccc3)C[C@H](NC(=O)Oc3ccccc3)[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(=O)Oc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1O[C@@H](CNC(=O)Oc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)Oc1ccccc1
InChIInChI=1S/C88H134N8O22Si5/c1-84(2,3)119(16,17)103-55-66-71(113-77-68(95-83(102)109-60-49-39-30-40-50-60)73(117-122(22,23)87(10,11)12)72(116-121(20,21)86(7,8)9)65(110-77)54-90-79(98)105-56-41-31-26-32-42-56)75(118-123(24,25)88(13,14)15)78(111-66)114-74-69(97)62(92-80(99)106-57-43-33-27-34-44-57)52-63(93-81(100)107-58-45-35-28-36-46-58)70(74)112-76-67(94-82(101)108-59-47-37-29-38-48-59)64(51-61(104-76)53-91-96-89)115-120(18,19)85(4,5)6/h26-50,61-78,97H,51-55H2,1-25H3,(H,90,98)(H,92,99)(H,93,100)(H,94,101)(H,95,102)/t61-,62+,63-,64-,65-,66+,67+,68+,69-,70+,71-,72+,73+,74+,75+,76+,77+,78+/m0/s1
InChIKeyPPFHIWPHSMAJFJ-QZNDPHGCSA-N
XLogP17.78
TPSA362.17 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001796.50
LogP ≤ 517.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[[(1R,2S,3R,4R,5S)-4-[(2R,3R,4S,6S)-6-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-3-[(2S,3R,4R,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-2-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]carbamoyl]-3-hydroxyazetidine-1-carboxylate
CID 59859698
benzyl N-[(2R,3R,4R,5S,6S)-2-[(2R,3S,4R,5S)-2-(azidomethyl)-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-6-hydroxy-3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(phenylmethoxycarbonylaminomethyl)oxan-3-yl]carbamate
CID 25158690
phenyl N-[(3R,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-[[(2S)-2-hydroxy-4-(phenoxycarbonylamino)butanoyl]amino]-6-(phenoxycarbonylamino)cyclohexyl]oxy-3,6-dihydro-2H-pyran-3-yl]carbamate
CID 25050144
benzyl N-[(1S,2R,3R,4S,5R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 73356504
[(2R,3R,4R,5S)-4-acetyloxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-6-[(2S,3R,4R,5S,6R)-4-acetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-3-[(2R,3R,4R,5R,6S)-4,5-diacetyloxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxyoxolan-2-yl]methyl acetate;[(2R,3R,4R,5S)-5-[(1S,2R,3S,5R,6S)-2-[[(2R,3R,6S)-6-(acetyloxymethyl)-3-(phenylmethoxycarbonylamino)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-benzoyloxy-3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-benzoyloxy-3-[(2R,3R,4R,5R,6S)-4,5-dibenzoyloxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxyoxolan-2-yl]methyl benzoate;[(2R,3R,4R,5S)-5-[(1S,2R,3S,5R,6S)-2-[[(1R,2R,4S,5R)-2-(acetyloxymethyl)-5-(phenylmethoxycarbonylamino)-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]-6-benzoyloxy-3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-benzoyloxy-3-[(2R,3R,4R,5R,6S)-4,5-dibenzoyloxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxyoxolan-2-yl]methyl benzoate;benzyl N-[(1R,2R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-3,7-dioxabicyclo[4.1.0]heptan-5-yl]carbamate
CID 162108700
tert-butyl N-[(1S,2R,3R,4S,5R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3-hydroxy-4-[[(1R,2S,4R,5R,6S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxolan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 16752420
3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
CID 140502709
benzyl N-[[(2R,4S,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-5-[[(2R)-4-azido-2-butoxy-3,3-difluorobutanoyl]amino]-2-[(2R,3R,4R,6S)-6-(azidomethyl)-4-hydroxy-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-6-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl]-N-[methoxy(phenyl)methyl]carbamate
CID 88576393
benzyl N-[2-[(2S,3R,4R,5R)-2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-(azidomethyl)-4,5-dihydroxy-3-methyloxan-2-yl]oxy-6-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-methyl-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl]oxyethyl]-N-(2-phenylethyl)carbamate
CID 89342222
[(2S)-1-[[(1R,2S,3R,4R,5S)-4-[[(4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-[(2S,3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-[(2R,3R,4S,6R)-4-hydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-2-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]amino]-1-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] benzoate
CID 89090814
tert-butyl N-[(1R,3R)-3-[(2S,4R,5R)-5-(azidomethyl)-4-[(2R,6S)-6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-4-[(2S,4R)-6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl]oxy-2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 58160591
methyl (2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-hydroxy-3,4-bis(phenylmethoxy)oxane-2-carboxylate
CID 11400280

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate?
The IUPAC name of phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate (CID 25050957) is phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate.
What is the SMILES notation for phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate?
The canonical SMILES for phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](NC(=O)Oc3ccccc3)C[C@H](NC(=O)Oc3ccccc3)[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(=O)Oc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1O[C@@H](CNC(=O)Oc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate?
The InChIKey is PPFHIWPHSMAJFJ-QZNDPHGCSA-N. The full InChI is InChI=1S/C88H134N8O22Si5/c1-84(2,3)119(16,17)103-55-66-71(113-77-68(95-83(102)109-60-49-39-30-40-50-60)73(117-122(22,23)87(10,11)12)72(116-121(20,21)86(7,8)9)65(110-77)54-90-79(98)105-56-41-31-26-32-42-56)75(118-123(24,25)88(13,14)15)78(111-66)114-74-69(97)62(92-80(99)106-57-43-33-27-34-44-57)52-63(93-81(100)107-58-45-35-28-36-46-58)70(74)112-76-67(94-82(101)108-59-47-37-29-38-48-59)64(51-61(104-76)53-91-96-89)115-120(18,19)85(4,5)6/h26-50,61-78,97H,51-55H2,1-25H3,(H,90,98)(H,92,99)(H,93,100)(H,94,101)(H,95,102)/t61-,62+,63-,64-,65-,66+,67+,68+,69-,70+,71-,72+,73+,74+,75+,76+,77+,78+/m0/s1.
What are the key properties of phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate?
phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate has a molecular weight of 1796.50 g/mol, XLogP of 17.78, 30 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2R,3R,4S,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2R,3R,4S,5R)-4-[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(phenoxycarbonylamino)-6-[(phenoxycarbonylamino)methyl]oxan-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxy-3-hydroxy-4,6-bis(phenoxycarbonylamino)cyclohexyl]oxy-4-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]carbamate is sourced from PubChem (CID 25050957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).