2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

C58H100N2O40 — CID 159107005

About 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol (PubChem CID 159107005) has the molecular formula C58H100N2O40 and a molecular weight of 1465.41 g/mol. Its IUPAC name is 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol.

Molecular Properties

• Compound Name: 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
• PubChem CID: 159107005
• Molecular Formula: C58H100N2O40
• Molecular Weight: 1465.41 g/mol
• Exact Mass: 1464.59
• IUPAC Name: 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
• SMILES: CC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O.COC1OC(C)C(NC2C=C(CO)C(OC3OC(CO)C(OC4OC(C)C(NC5C=C(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O
• InChI: InChI=1S/C33H56N2O20.C25H44O20/c1-9-16(21(42)26(47)31(50-3)51-9)35-14-5-12(7-37)29(24(45)20(14)41)54-33-28(49)25(46)30(15(8-38)53-33)55-32-27(48)22(43)17(10(2)52-32)34-13-4-11(6-36)18(39)23(44)19(13)40;1-6-7(2-26)39-22(16(35)11(6)30)43-20-9(4-28)41-23(18(37)14(20)33)44-21-10(5-29)42-25(19(38)15(21)34)45-24-17(36)13(32)12(31)8(3-27)40-24/h4-5,9-10,13-49H,6-8H2,1-3H3;6-38H,2-5H2,1H3
• InChIKey: KDZXQOWNORWTGS-UHFFFAOYSA-N
• XLogP: -17.38
• TPSA: 690.26 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1465.41
LogP ≤ 5	-17.38
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol?

The IUPAC name of 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol (CID 159107005) is 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol.

What is the SMILES notation for 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol?

The canonical SMILES for 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol is CC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O.COC1OC(C)C(NC2C=C(CO)C(OC3OC(CO)C(OC4OC(C)C(NC5C=C(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O.

What is the InChIKey of 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol?

The InChIKey is KDZXQOWNORWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N2O20.C25H44O20/c1-9-16(21(42)26(47)31(50-3)51-9)35-14-5-12(7-37)29(24(45)20(14)41)54-33-28(49)25(46)30(15(8-38)53-33)55-32-27(48)22(43)17(10(2)52-32)34-13-4-11(6-36)18(39)23(44)19(13)40;1-6-7(2-26)39-22(16(35)11(6)30)43-20-9(4-28)41-23(18(37)14(20)33)44-21-10(5-29)42-25(19(38)15(21)34)45-24-17(36)13(32)12(31)8(3-27)40-24/h4-5,9-10,13-49H,6-8H2,1-3H3;6-38H,2-5H2,1H3.

What are the key properties of 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol?

2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol has a molecular weight of 1465.41 g/mol, XLogP of -17.38, 22 rotatable bonds, 29 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;6-[[6-[6-[4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol is sourced from PubChem (CID 159107005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).