benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate

C47H54N4O16 — CID 136795278

About benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate

benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate (PubChem CID 136795278) has the molecular formula C47H54N4O16 and a molecular weight of 930.96 g/mol. Its IUPAC name is benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate
• PubChem CID: 136795278
• Molecular Formula: C47H54N4O16
• Molecular Weight: 930.96 g/mol
• Exact Mass: 930.35
• IUPAC Name: benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate
• SMILES: O=C(NCC1OC(OC2C(/N=C\c3ccccc3O)CC(/N=C/c3ccccc3O)C(OC3OC(CO)C(O)C(/N=C/c4ccccc4O)C3O)C2O)C(O)C(O)C1O)OCc1ccccc1
• InChI: InChI=1S/C47H54N4O16/c52-23-35-37(56)36(50-21-28-14-6-9-17-33(28)55)39(58)45(65-35)66-43-29(48-19-26-12-4-7-15-31(26)53)18-30(49-20-27-13-5-8-16-32(27)54)44(42(43)61)67-46-41(60)40(59)38(57)34(64-46)22-51-47(62)63-24-25-10-2-1-3-11-25/h1-17,19-21,29-30,34-46,52-61H,18,22-24H2,(H,51,62)/b48-19+,49-20-,50-21+
• InChIKey: HVPVBPFEUNMDKZ-QAVJJOCXSA-N
• XLogP: 0.27
• TPSA: 314.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.96
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate?

The IUPAC name of benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate (CID 136795278) is benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate.

What is the SMILES notation for benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate?

The canonical SMILES for benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate is O=C(NCC1OC(OC2C(/N=C\c3ccccc3O)CC(/N=C/c3ccccc3O)C(OC3OC(CO)C(O)C(/N=C/c4ccccc4O)C3O)C2O)C(O)C(O)C1O)OCc1ccccc1.

What is the InChIKey of benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate?

The InChIKey is HVPVBPFEUNMDKZ-QAVJJOCXSA-N. The full InChI is InChI=1S/C47H54N4O16/c52-23-35-37(56)36(50-21-28-14-6-9-17-33(28)55)39(58)45(65-35)66-43-29(48-19-26-12-4-7-15-31(26)53)18-30(49-20-27-13-5-8-16-32(27)54)44(42(43)61)67-46-41(60)40(59)38(57)34(64-46)22-51-47(62)63-24-25-10-2-1-3-11-25/h1-17,19-21,29-30,34-46,52-61H,18,22-24H2,(H,51,62)/b48-19+,49-20-,50-21+.

What are the key properties of benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate?

benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate has a molecular weight of 930.96 g/mol, XLogP of 0.27, 15 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[6-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2-hydroxyphenyl)methylideneamino]oxan-2-yl]oxy-2-hydroxy-4,6-bis[(2-hydroxyphenyl)methylideneamino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]carbamate is sourced from PubChem (CID 136795278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).