Platyphylline

• CAS: 480-78-4
• Catalog Number: ACM480784
• Category: Other Products
• Molecular Weight: 337.4
• Molecular Formula: C₁₈H₂₇NO₅
• Synonyms: (1R)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione
• InChI: InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1
• InChI Key: BTHCJHQOYFUIMG-REYNEDSXSA-N
• Melting Point: 129 °C
• Complexity: 560
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 5
• Exact Mass: 337.18892296
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
• Monoisotopic Mass: 337.18892296
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 76.1 Ų

Custom Q&A

What is the molecular formula of Platyphylline?

The molecular formula of Platyphylline is C18H27NO5.

What is the molecular weight of Platyphylline?

The molecular weight of Platyphylline is 337.4 g/mol.

What is the IUPAC name of Platyphylline?

The IUPAC name of Platyphylline is (1R,4Z,6R,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0 14,17 ]heptadecane-3,8-dione.

What is the InChI of Platyphylline?

The InChI of Platyphylline is InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1.

What is the InChIKey of Platyphylline?

The InChIKey of Platyphylline is BTHCJHQOYFUIMG-REYNEDSXSA-N.

What is the Canonical SMILES of Platyphylline?

The Canonical SMILES of Platyphylline is CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C.

What is the CAS number of Platyphylline?

The CAS number of Platyphylline is 480-78-4.

What is the XLogP3-AA value of Platyphylline?

The XLogP3-AA value of Platyphylline is 1.9.

How many hydrogen bond acceptor counts does Platyphylline have?

Platyphylline has 6 hydrogen bond acceptor counts.