(3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate

C105H145N9O37 — CID 158539962

About (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate

(3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate (PubChem CID 158539962) has the molecular formula C105H145N9O37 and a molecular weight of 2125.34 g/mol. Its IUPAC name is (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate.

Molecular Properties

• Compound Name: (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate
• PubChem CID: 158539962
• Molecular Formula: C105H145N9O37
• Molecular Weight: 2125.34 g/mol
• Exact Mass: 2123.97
• IUPAC Name: (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate
• SMILES: C[C@H](C(=O)C[C@@H]1C[C@H](C)[C@@H](O[C@H]2O[C@@H]3CCC(c4ccccc4)O[C@H]3[C@@H](O)[C@H]2NC(=O)OCc2ccccc2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H]4CCC(c5ccccc5)O[C@H]4[C@H](O)[C@H]3NC(=O)OCc3ccccc3)[C@H]2O)[C@H]1O)[C@H](CNC(=O)OCc1ccccc1)OCc1ccccc1.NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](CC(=O)[C@@H](O)[C@@H](O)CN)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C77H91N3O21.C28H54N6O16/c1-45-37-53(38-54(82)46(2)59(90-41-47-21-9-3-10-22-47)39-78-75(87)91-42-48-23-11-4-12-24-48)63(83)71(67(45)99-72-61(79-76(88)92-43-49-25-13-5-14-26-49)64(84)68-57(96-72)35-33-55(94-68)51-29-17-7-18-30-51)101-74-66(86)70(60(40-81)98-74)100-73-62(80-77(89)93-44-50-27-15-6-16-28-50)65(85)69-58(97-73)36-34-56(95-69)52-31-19-8-20-32-52;29-3-10(37)17(39)9(36)2-7-1-8(32)23(48-26-14(33)20(42)18(40)11(4-30)45-26)25(16(7)38)50-28-22(44)24(13(6-35)47-28)49-27-15(34)21(43)19(41)12(5-31)46-27/h3-32,45-46,53,55-74,81,83-86H,33-44H2,1-2H3,(H,78,87)(H,79,88)(H,80,89);7-8,10-28,35,37-44H,1-6,29-34H2/t45-,46+,53-,55?,56?,57+,58-,59-,60+,61+,62+,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74-;7-,8-,10-,11+,12-,13+,14+,15+,16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28-/m00/s1
• InChIKey: HOJZGBKVSAMKDC-LNAKSJBXSA-N
• XLogP: -2.02
• TPSA: 726.92 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 43
• Rotatable Bonds: 40
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.34
LogP ≤ 5	-2.02
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate?

The IUPAC name of (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate (CID 158539962) is (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate.

What is the SMILES notation for (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate?

The canonical SMILES for (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate is C[C@H](C(=O)C[C@@H]1C[C@H](C)[C@@H](O[C@H]2O[C@@H]3CCC(c4ccccc4)O[C@H]3[C@@H](O)[C@H]2NC(=O)OCc2ccccc2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H]4CCC(c5ccccc5)O[C@H]4[C@H](O)[C@H]3NC(=O)OCc3ccccc3)[C@H]2O)[C@H]1O)[C@H](CNC(=O)OCc1ccccc1)OCc1ccccc1.NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](CC(=O)[C@@H](O)[C@@H](O)CN)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.

What is the InChIKey of (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate?

The InChIKey is HOJZGBKVSAMKDC-LNAKSJBXSA-N. The full InChI is InChI=1S/C77H91N3O21.C28H54N6O16/c1-45-37-53(38-54(82)46(2)59(90-41-47-21-9-3-10-22-47)39-78-75(87)91-42-48-23-11-4-12-24-48)63(83)71(67(45)99-72-61(79-76(88)92-43-49-25-13-5-14-26-49)64(84)68-57(96-72)35-33-55(94-68)51-29-17-7-18-30-51)101-74-66(86)70(60(40-81)98-74)100-73-62(80-77(89)93-44-50-27-15-6-16-28-50)65(85)69-58(97-73)36-34-56(95-69)52-31-19-8-20-32-52;29-3-10(37)17(39)9(36)2-7-1-8(32)23(48-26-14(33)20(42)18(40)11(4-30)45-26)25(16(7)38)50-28-22(44)24(13(6-35)47-28)49-27-15(34)21(43)19(41)12(5-31)46-27/h3-32,45-46,53,55-74,81,83-86H,33-44H2,1-2H3,(H,78,87)(H,79,88)(H,80,89);7-8,10-28,35,37-44H,1-6,29-34H2/t45-,46+,53-,55?,56?,57+,58-,59-,60+,61+,62+,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74-;7-,8-,10-,11+,12-,13+,14+,15+,16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28-/m00/s1.

What are the key properties of (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate?

(3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate has a molecular weight of 2125.34 g/mol, XLogP of -2.02, 40 rotatable bonds, 23 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-5-amino-1-[(1S,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3,4-dihydroxypentan-2-one;benzyl N-[(2R,3R,4S,4aS,8aR)-2-[(1R,2R,3S,4S,6S)-2-[(2S,3R,4S,5R)-4-[[(2R,3R,4R,4aS,8aS)-4-hydroxy-6-phenyl-3-(phenylmethoxycarbonylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(3S,4R)-3-methyl-2-oxo-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentyl]cyclohexyl]oxy-4-hydroxy-6-phenyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]carbamate is sourced from PubChem (CID 158539962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).