Alatamine

Catalog Number	ACM41855338
CAS Number	41855-33-8
IUPAC Name	[(1S,3R,15R,18S,19R,20R,21S,22S,24R,25R,26S)-20,22,25-Triacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
Molecular Weight	839.79
Molecular Formula	C41H45NO18
Canonical SMILES	CC(=O)OCC12C(C(C3C(C14C(C(C(=O)C2OC(=O)C)C(O4)(COC(=O)C5=C(CCC(C(=O)O3)(C)O)N=CC=C5)C)OC(=O)C)(C)O)OC(=O)C6=CC=CC=C6)OC(=O)C
InChI	InChI=1S/C41H45NO18/c1-20(43)53-19-40-31(56-22(3)45)28(47)27-30(55-21(2)44)41(40)39(7,52)32(29(33(40)57-23(4)46)58-34(48)24-12-9-8-10-13-24)59-36(50)37(5,51)16-15-26-25(14-11-17-42-26)35(49)54-18-38(27,6)60-41/h8-14,17,27,29-33,51-52H,15-16,18-19H2,1-7H3/t27-,29+,30-,31-,32+,33+,37-,38+,39+,40-,41+/m1/s1
InChI Key	WLMGYTNCKLQIDI-BLKXGXPVSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	1780
Exact Mass	839.26366359
Heavy Atom Count	60
Isomeric SMILES	CC(=O)OC[C@@]12[C@H]([C@H]([C@H]3[C@]([C@@]14[C@@H]([C@@H](C(=O)[C@H]2OC(=O)C)[C@@](O4)(COC(=O)C5=C(CC[C@@](C(=O)O3)(C)O)N=CC=C5)C)OC(=O)C)(C)O)OC(=O)C6=CC=CC=C6)OC(=O)C
Monoisotopic Mass	839.26366359
Topological Polar Surface Area	264Ų

Custom Q&A

What is the chemical formula for Alatamine?

The chemical formula for Alatamine is C41H45NO18.

What is the molar mass of Alatamine?

The molar mass of Alatamine is 839.8 g/mol.

Does Alatamine have any synonyms?

Yes, Alatamine has synonyms such as O2-Benzoyl-O2-deacetyl-26-hydroxyevonimine, Alatamin, and others.

What is the CAS number for Alatamine?

The CAS number for Alatamine is 41855-33-8.

What is the predicted boiling point of Alatamine?

The predicted boiling point of Alatamine is 893.0±65.0 °C.

What is the predicted density of Alatamine?

The predicted density of Alatamine is 1.46±0.1 g/cm3.

What is the predicted pKa value of Alatamine?

The predicted pKa value of Alatamine is 11.69±0.70.

Which stereochemistry does Alatamine possess?

Alatamine possesses stereochemistry with the configuration (8R,9R,10R,11S,12S,13R,14R,15S,18R,21S,22S).

※ Please kindly note that our products are for research use only.