(3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one

C26H36N2O6 — CID 53234649

IUPAC(3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one
SMILESCC1/C=C/C=C\C=C\C=C\C=C\C(OC2OCC(O)C(O)C2N)C(C)(O)/C=C/C=C\C(=O)NC1
InChIInChI=1S/C26H36N2O6/c1-19-13-9-7-5-3-4-6-8-10-14-21(34-25-23(27)24(31)20(29)18-33-25)26(2,32)16-12-11-15-22(30)28-17-19/h3-16,19-21,23-25,29,31-32H,17-18,27H2,1-2H3,(H,28,30)/b4-3+,7-5-,8-6+,13-9+,14-10+,15-11-,16-12+
InChIKeyQAYDTFSWPPJOQZ-UFKQPCJMSA-N
MW472.58 g/mol
LogP1.19
Rot. Bonds2

About (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one

(3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one (PubChem CID 53234649) has the molecular formula C26H36N2O6 and a molecular weight of 472.58 g/mol. Its IUPAC name is (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one.

Molecular Properties

Compound Name(3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one
PubChem CID53234649
Molecular FormulaC26H36N2O6
Molecular Weight472.58 g/mol
Exact Mass472.26
IUPAC Name(3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one
SMILESCC1/C=C/C=C\C=C\C=C\C=C\C(OC2OCC(O)C(O)C2N)C(C)(O)/C=C/C=C\C(=O)NC1
InChIInChI=1S/C26H36N2O6/c1-19-13-9-7-5-3-4-6-8-10-14-21(34-25-23(27)24(31)20(29)18-33-25)26(2,32)16-12-11-15-22(30)28-17-19/h3-16,19-21,23-25,29,31-32H,17-18,27H2,1-2H3,(H,28,30)/b4-3+,7-5-,8-6+,13-9+,14-10+,15-11-,16-12+
InChIKeyQAYDTFSWPPJOQZ-UFKQPCJMSA-N
XLogP1.19
TPSA134.27 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 51.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one?
The IUPAC name of (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one (CID 53234649) is (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one.
What is the SMILES notation for (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one?
The canonical SMILES for (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one is CC1/C=C/C=C\C=C\C=C\C=C\C(OC2OCC(O)C(O)C2N)C(C)(O)/C=C/C=C\C(=O)NC1.
What is the InChIKey of (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one?
The InChIKey is QAYDTFSWPPJOQZ-UFKQPCJMSA-N. The full InChI is InChI=1S/C26H36N2O6/c1-19-13-9-7-5-3-4-6-8-10-14-21(34-25-23(27)24(31)20(29)18-33-25)26(2,32)16-12-11-15-22(30)28-17-19/h3-16,19-21,23-25,29,31-32H,17-18,27H2,1-2H3,(H,28,30)/b4-3+,7-5-,8-6+,13-9+,14-10+,15-11-,16-12+.
What are the key properties of (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one?
(3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one has a molecular weight of 472.58 g/mol, XLogP of 1.19, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one is sourced from PubChem (CID 53234649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).