Astin A

Catalog Number	ACM151201751
CAS Number	151201-75-1
IUPAC Name	17,18-Dichloro-13-ethyl-3-(1-hydroxyethyl)-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Molecular Weight	586.50
Molecular Formula	C25H33N5O7Cl2
Canonical SMILES	CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)C(C)O)C3=CC=CC=C3)CO
InChI	InChI=1S/C25H33Cl2N5O7/c1-3-15-22(36)30-17(11-33)23(37)29-16(13-7-5-4-6-8-13)9-18(35)31-20(12(2)34)25(39)32-10-14(26)19(27)21(32)24(38)28-15/h4-8,12,14-17,19-21,33-34H,3,9-11H2,1-2H3,(H,28,38)(H,29,37)(H,30,36)(H,31,35)
InChI Key	LOHHRJVRAMTARJ-UHFFFAOYSA-N
Purity	95%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	935
Exact Mass	585.1757038
Heavy Atom Count	39
Monoisotopic Mass	585.1757038
Topological Polar Surface Area	177Ų

Custom Q&A

What is the product name of astin A?

The product name of astin A is astin A.

What are the synonyms for astin A?

The synonyms for astin A are Cyclo[(3R)-3-phenyl-β-alanyl-L-allothreonyl-(3S,4R)-3,4-dichloro-L-prolyl-(2S)-2-aminobutanoyl-L-seryl].

What is the CAS number for astin A?

The CAS number for astin A is 151201-75-1.

What is the molecular formula of astin A?

The molecular formula of astin A is C25H33Cl2N5O7.

What is the molecular weight of astin A?

The molecular weight of astin A is 586.47.

What is the boiling point of astin A?

The boiling point of astin A is predicted to be 1044.6±65.0 °C.

What is the density of astin A?

The density of astin A is predicted to be 1.44±0.1 g/cm3.

What is the pka value of astin A?

The pka value of astin A is predicted to be 12.49±0.70.

How is astin A predicted to behave in terms of boiling point and density?

Astin A is predicted to have a high boiling point of 1044.6±65.0 °C and a relatively high density of 1.44±0.1 g/cm3.

How can the molecular structure of astin A be described?

The molecular structure of astin A consists of a cyclic compound with several amino acid residues including phenylalanine, proline, and serine, as well as chloro groups and an amine group.

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