lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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

C35H32LiN5O10 — CID 143017330

About lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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

lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 143017330) has the molecular formula C35H32LiN5O10 and a molecular weight of 689.61 g/mol. Its IUPAC name is lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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: lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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: 143017330
• Molecular Formula: C35H32LiN5O10
• Molecular Weight: 689.61 g/mol
• Exact Mass: 689.23
• IUPAC Name: lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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(C4OC(CO)C(O)C(O)C4O)c3c3[n-]c4cc(O)ccc4c23)C(=O)N1NCc1ccc(CCCO)nc1.[Li+]
• InChI: InChI=1S/C35H33N5O10.Li/c41-9-1-2-16-4-3-15(12-36-16)13-37-40-33(48)26-24-19-7-5-17(43)10-21(19)38-28(24)29-25(27(26)34(40)49)20-8-6-18(44)11-22(20)39(29)35-32(47)31(46)30(45)23(14-42)50-35;/h3-8,10-12,23,30-32,35,37,41-42,45-47H,1-2,9,13-14H2,(H3,38,43,44,48,49);/q;+1/p-1
• InChIKey: AIMPWHRSASFPCH-UHFFFAOYSA-M
• XLogP: -1.93
• TPSA: 232.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	689.61
LogP ≤ 5	-1.93
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 lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 143017330) is lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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(C4OC(CO)C(O)C(O)C4O)c3c3[n-]c4cc(O)ccc4c23)C(=O)N1NCc1ccc(CCCO)nc1.[Li+].

What is the InChIKey of lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 AIMPWHRSASFPCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H33N5O10.Li/c41-9-1-2-16-4-3-15(12-36-16)13-37-40-33(48)26-24-19-7-5-17(43)10-21(19)38-28(24)29-25(27(26)34(40)49)20-8-6-18(44)11-22(20)39(29)35-32(47)31(46)30(45)23(14-42)50-35;/h3-8,10-12,23,30-32,35,37,41-42,45-47H,1-2,9,13-14H2,(H3,38,43,44,48,49);/q;+1/p-1.

What are the key properties of lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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?

lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 689.61 g/mol, XLogP of -1.93, 8 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for lithium 6,20-dihydroxy-13-[[6-(3-hydroxypropyl)-3-pyridinyl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13-diaza-23-azanidahexacyclo[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 143017330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).