6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

C33H28N4O11 — CID 11671916

About 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (PubChem CID 11671916) has the molecular formula C33H28N4O11 and a molecular weight of 656.60 g/mol. Its IUPAC name is 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.

Molecular Properties

• Compound Name: 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
• PubChem CID: 11671916
• Molecular Formula: C33H28N4O11
• Molecular Weight: 656.60 g/mol
• Exact Mass: 656.18
• IUPAC Name: 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
• SMILES: O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1OCc1cccc(CO)n1
• InChI: InChI=1S/C33H28N4O11/c38-10-13-2-1-3-14(34-13)12-47-37-31(45)24-22-17-6-4-15(40)8-19(17)35-26(22)27-23(25(24)32(37)46)18-7-5-16(41)9-20(18)36(27)33-30(44)29(43)28(42)21(11-39)48-33/h1-9,21,28-30,33,35,38-44H,10-12H2/t21-,28-,29+,30-,33-/m1/s1
• InChIKey: YMAAJIKOCBVTMZ-CBUVUTGPSA-N
• XLogP: 1.43
• TPSA: 231.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	656.60
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?

The IUPAC name of 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (CID 11671916) is 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.

What is the SMILES notation for 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?

The canonical SMILES for 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1OCc1cccc(CO)n1.

What is the InChIKey of 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?

The InChIKey is YMAAJIKOCBVTMZ-CBUVUTGPSA-N. The full InChI is InChI=1S/C33H28N4O11/c38-10-13-2-1-3-14(34-13)12-47-37-31(45)24-22-17-6-4-15(40)8-19(17)35-26(22)27-23(25(24)32(37)46)18-7-5-16(41)9-20(18)36(27)33-30(44)29(43)28(42)21(11-39)48-33/h1-9,21,28-30,33,35,38-44H,10-12H2/t21-,28-,29+,30-,33-/m1/s1.

What are the key properties of 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?

6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione has a molecular weight of 656.60 g/mol, XLogP of 1.43, 6 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6,20-dihydroxy-13-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is sourced from PubChem (CID 11671916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).