RefChem:536074

2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid

Also Known As: ZK 71677|EINECS 278-752-6|2-Amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid|5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, (1R-(1alpha(Z),2beta(E),3alpha,5alpha))-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)|2-amino-2-(hydroxymethyl)propane-1,3-diol; (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid|278-752-6|5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E)-2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, (5Z)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)|5-Heptenoic acid, 7-[3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, [1R-[1alpha(Z),2beta(E),3alpha,5alpha]]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)

Molecular Formula	C28H43NO10
Molecular Weight	553.2887 g/mol
LogP	0.5846
Topological Polar Surface Area	192.16 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	14
Exact Mass	553.2887
Monoisotopic Mass	553.2887
Heavy Atoms	39
Complexity	875.32513

Chemical Identifiers

CAS Number	77698-96-5
SMILES	C1COC(O1)(COC2=CC=CC=C2)/C=C/[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)O)O)O.C(C(CO)(CO)N)O