1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid

C56H95N4O20P — CID 11693810

About 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid

1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid (PubChem CID 11693810) has the molecular formula C56H95N4O20P and a molecular weight of 1175.36 g/mol. Its IUPAC name is 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid.

Molecular Properties

• Compound Name: 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid
• PubChem CID: 11693810
• Molecular Formula: C56H95N4O20P
• Molecular Weight: 1175.36 g/mol
• Exact Mass: 1174.63
• IUPAC Name: 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCN(C)CCCc3ccc4c(c3)c(=O)c(C(=O)O)cn4N(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=P(O)(O)O
• InChI: InChI=1S/C56H92N4O16.H3O4P/c1-18-42-56(10,68)48(64)33(4)44(61)31(2)28-54(8,69-16)49(76-53-46(63)41(57(11)12)26-32(3)72-53)34(5)47(35(6)52(67)74-42)75-43-29-55(9,70-17)50(36(7)73-43)71-25-24-59(15)23-19-20-37-21-22-40-38(27-37)45(62)39(51(65)66)30-60(40)58(13)14;1-5(2,3)4/h21-22,27,30-36,41-43,46-50,53,63-64,68H,18-20,23-26,28-29H2,1-17H3,(H,65,66);(H3,1,2,3,4)/t31-,32-,33+,34+,35-,36+,41+,42-,43+,46-,47+,48-,49-,50+,53+,54-,55-,56-;/m1./s1
• InChIKey: WNIJMQWXXJBMIQ-PHHCVZGQSA-N
• XLogP: 3.31
• TPSA: 315.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.36
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid?

The IUPAC name of 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid (CID 11693810) is 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid.

What is the SMILES notation for 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid?

The canonical SMILES for 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCN(C)CCCc3ccc4c(c3)c(=O)c(C(=O)O)cn4N(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=P(O)(O)O.

What is the InChIKey of 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid?

The InChIKey is WNIJMQWXXJBMIQ-PHHCVZGQSA-N. The full InChI is InChI=1S/C56H92N4O16.H3O4P/c1-18-42-56(10,68)48(64)33(4)44(61)31(2)28-54(8,69-16)49(76-53-46(63)41(57(11)12)26-32(3)72-53)34(5)47(35(6)52(67)74-42)75-43-29-55(9,70-17)50(36(7)73-43)71-25-24-59(15)23-19-20-37-21-22-40-38(27-37)45(62)39(51(65)66)30-60(40)58(13)14;1-5(2,3)4/h21-22,27,30-36,41-43,46-50,53,63-64,68H,18-20,23-26,28-29H2,1-17H3,(H,65,66);(H3,1,2,3,4)/t31-,32-,33+,34+,35-,36+,41+,42-,43+,46-,47+,48-,49-,50+,53+,54-,55-,56-;/m1./s1.

What are the key properties of 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid?

1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid has a molecular weight of 1175.36 g/mol, XLogP of 3.31, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(dimethylamino)-6-[3-[2-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethyl-methylamino]propyl]-4-oxoquinoline-3-carboxylic acid;phosphoric acid is sourced from PubChem (CID 11693810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).