benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane

C131H182N14O51 — CID 162092212

About benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane

benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane (PubChem CID 162092212) has the molecular formula C131H182N14O51 and a molecular weight of 2768.94 g/mol. Its IUPAC name is benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane.

Molecular Properties

• Compound Name: benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane
• PubChem CID: 162092212
• Molecular Formula: C131H182N14O51
• Molecular Weight: 2768.94 g/mol
• Exact Mass: 2767.21
• IUPAC Name: benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane
• SMILES: C.C.C.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](C)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)O[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N(CCN)Cc4ccccc4)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)O[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.[H]/N=C(\N)CCCN[C@@H]1C(CO)O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)O[C@@H](NC(=O)OCc5ccccc5)C(O)[C@H]4O)OC3C3OC(=O)N(C)C23)C(O)[C@H]1O
• InChI: InChI=1S/C47H61N5O17.C42H58N6O17.C39H51N3O17.3CH4/c1-25-20-29-37(38-32(51(2)47(60)67-38)43(63-29)69-44-36(57)33(54)31(30(22-53)64-44)52(19-18-48)21-26-12-6-3-7-13-26)65-42(25)66-39-34(55)35(56)40(49-45(58)61-23-27-14-8-4-9-15-27)68-41(39)50-46(59)62-24-28-16-10-5-11-17-28;1-20-16-23-32(33-27(48(2)42(56)63-33)38(59-23)65-39-31(53)28(50)26(24(17-49)60-39)45-15-9-14-25(43)44)61-37(20)62-34-29(51)30(52)35(46-40(54)57-18-21-10-5-3-6-11-21)64-36(34)47-41(55)58-19-22-12-7-4-8-13-22;1-18-14-22-29(30-24(42(3)39(50)57-30)35(53-22)59-36-28(47)25(44)19(2)23(15-43)54-36)55-34(18)56-31-26(45)27(46)32(40-37(48)51-16-20-10-6-4-7-11-20)58-33(31)41-38(49)52-17-21-12-8-5-9-13-21;;;/h3-17,25,29-44,53-57H,18-24,48H2,1-2H3,(H,49,58)(H,50,59);3-8,10-13,20,23-24,26-39,45,49-53H,9,14-19H2,1-2H3,(H3,43,44)(H,46,54)(H,47,55);4-13,18-19,22-36,43-47H,14-17H2,1-3H3,(H,40,48)(H,41,49);3*1H4/t25?,29-,30?,31+,32?,33-,34+,35?,36?,37?,38?,39-,40+,41?,42+,43?,44+;20?,23-,24?,26+,27?,28-,29+,30?,31?,32?,33?,34-,35+,36?,37+,38?,39+;18?,19-,22+,23?,24?,25+,26-,27?,28?,29?,30?,31+,32-,33?,34-,35?,36-;;;/m001.../s1
• InChIKey: ZDTPWJGJVXNUQS-FRDVVGOQSA-N
• XLogP: 1.19
• TPSA: 879.35 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 55
• Rotatable Bonds: 43
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.94
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane?

The IUPAC name of benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane (CID 162092212) is benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane.

What is the SMILES notation for benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane?

The canonical SMILES for benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane is C.C.C.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](C)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)O[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N(CCN)Cc4ccccc4)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)O[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.[H]/N=C(\N)CCCN[C@@H]1C(CO)O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)O[C@@H](NC(=O)OCc5ccccc5)C(O)[C@H]4O)OC3C3OC(=O)N(C)C23)C(O)[C@H]1O.

What is the InChIKey of benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane?

The InChIKey is ZDTPWJGJVXNUQS-FRDVVGOQSA-N. The full InChI is InChI=1S/C47H61N5O17.C42H58N6O17.C39H51N3O17.3CH4/c1-25-20-29-37(38-32(51(2)47(60)67-38)43(63-29)69-44-36(57)33(54)31(30(22-53)64-44)52(19-18-48)21-26-12-6-3-7-13-26)65-42(25)66-39-34(55)35(56)40(49-45(58)61-23-27-14-8-4-9-15-27)68-41(39)50-46(59)62-24-28-16-10-5-11-17-28;1-20-16-23-32(33-27(48(2)42(56)63-33)38(59-23)65-39-31(53)28(50)26(24(17-49)60-39)45-15-9-14-25(43)44)61-37(20)62-34-29(51)30(52)35(46-40(54)57-18-21-10-5-3-6-11-21)64-36(34)47-41(55)58-19-22-12-7-4-8-13-22;1-18-14-22-29(30-24(42(3)39(50)57-30)35(53-22)59-36-28(47)25(44)19(2)23(15-43)54-36)55-34(18)56-31-26(45)27(46)32(40-37(48)51-16-20-10-6-4-7-11-20)58-33(31)41-38(49)52-17-21-12-8-5-9-13-21;;;/h3-17,25,29-44,53-57H,18-24,48H2,1-2H3,(H,49,58)(H,50,59);3-8,10-13,20,23-24,26-39,45,49-53H,9,14-19H2,1-2H3,(H3,43,44)(H,46,54)(H,47,55);4-13,18-19,22-36,43-47H,14-17H2,1-3H3,(H,40,48)(H,41,49);3*1H4/t25?,29-,30?,31+,32?,33-,34+,35?,36?,37?,38?,39-,40+,41?,42+,43?,44+;20?,23-,24?,26+,27?,28-,29+,30?,31?,32?,33?,34-,35+,36?,37+,38?,39+;18?,19-,22+,23?,24?,25+,26-,27?,28?,29?,30?,31+,32-,33?,34-,35?,36-;;;/m001.../s1.

What are the key properties of benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane?

benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane has a molecular weight of 2768.94 g/mol, XLogP of 1.19, 43 rotatable bonds, 25 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane is sourced from PubChem (CID 162092212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).