Xanthobaccin A

Catalog Number	ACM227596818
CAS Number	227596-81-8
Molecular Weight	510.6
InChI	InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20+/t14-,15-,16-,17+,18+,19+,21,24+,25+,27/m0/s1
InChI Key	GXFBXYRIFPTSTH-IELMVSCISA-N
Purity	95%+
Complexity	1080
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Exact Mass	510.27298694
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CC[C@H]1C[C@@H]2C[C@@H]3[C@@H]4C/C=C\C(=O)NCCC(C5C(=O)/C(=C(/C=C/[C@H]4CC(=O)[C@@H]3[C@@H]2[C@H]1C)\O)/C(=O)N5)O
Monoisotopic Mass	510.27298694
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	133 Ų

Custom Q&A

What is the product name of xanthobaccin A?

The product name of xanthobaccin A is xanthobaccin A.

What are some synonyms of xanthobaccin A?

Some synonyms of xanthobaccin A include 9,12-Metheno-12H-cyclopent[1,2]indeno[4,5-k][1,6]diazacycloheptadecine-4,11,13,17-tetrone, 19-ethyl-1,5,6,7,8,9,10,15a,16,17a,17b,18,19,20,20a,21,21a,21b-octadecahydro-8,22-dihydroxy-18-methyl-, (2Z,8R,9S,14E,15aS,17aR,17bS,18S,19S,20aS,21aR,21bS)-.

What is the CAS number of xanthobaccin A?

The CAS number of xanthobaccin A is 227596-81-8.

What is the molecular formula of xanthobaccin A?

The molecular formula of xanthobaccin A is C29H38N2O6.

What is the molecular weight of xanthobaccin A?

The molecular weight of xanthobaccin A is 510.63.

What is the predicted boiling point of xanthobaccin A?

The predicted boiling point of xanthobaccin A is 819.4±65.0 °C.

What is the predicted density of xanthobaccin A?

The predicted density of xanthobaccin A is 1.30±0.1 g/cm3.

What is the predicted pka value of xanthobaccin A?

The predicted pka value of xanthobaccin A is 4.50±1.00.

How is the pka value relevant to xanthobaccin A's chemical properties?

The pka value can indicate the strength of xanthobaccin A as an acid or base in a chemical reaction.

What does the chemical structure of xanthobaccin A suggest about its potential uses or biological activity?

The chemical structure of xanthobaccin A may suggest potential uses as a pharmaceutical compound, antibiotic, or in other biological applications due to its unique structure and properties.

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