Physarorubinic acid A

Catalog Number	ACM196621495
CAS Number	196621-49-5
Molecular Weight	345.3
InChI	InChI=1S/C18H19NO6/c1-19-13(12-20)17(24)16(18(19)25)14(21)10-8-6-4-2-3-5-7-9-11-15(22)23/h2-11,13,20-21H,12H2,1H3,(H,22,23)/b3-2+,6-4+,7-5+,10-8+,11-9+,16-14+/t13-/m0/s1
InChI Key	OKSWYDBASPIKBT-XRUNLMSZSA-N
Purity	95%+
Complexity	709
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	345.12123733
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	CN1[C@H](C(=O)/C(=C(/C=C/C=C/C=C/C=C/C=C/C(=O)O)\O)/C1=O)CO
Monoisotopic Mass	345.12123733
PhysicalState	Powder
Rotatable Bond Count	7
Topological Polar Surface Area	115 Ų

Custom Q&A

What is the chemical name of Physarorubinic acid A?

2,4,6,8,10-Dodecapentaenoic acid, 12-hydroxy-12-[(5S)-5-(hydroxymethyl)-1-methyl-2,4-dioxo-3-pyrrolidinylidene]-, (2E,4E,6E,8E,10E,12E)

What is the CAS number of Physarorubinic acid A?

196621-49-5

What is the molecular formula of Physarorubinic acid A?

C18H19NO6

What is the molecular weight of Physarorubinic acid A?

345.35

What is the predicted boiling point of Physarorubinic acid A?

704.5±60.0 °C

What is the predicted density of Physarorubinic acid A?

1.318±0.06 g/cm3

What is the predicted pka value of Physarorubinic acid A?

4.29±0.10

What are some synonyms of Physarorubinic acid A?

Physarorubinic acid A; 2,4,6,8,10-Dodecapentaenoic acid

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