D-Serine, N-((5-((4,6-dideoxy-4-(dimethylamino)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

HCID 461579

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 131426-62-5
Standard SMILES: COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)N[C@H](CO)C(=O)O)c1O)[C@H](O[C@@H]1O[C@H](C)[C@H](N(C)C)[C@H](O)[C@H]1O)[C@H]3O)C2=O
InChIKey: ZAQHGXRGCJLEPS-PJKLZITJSA-N
Molecular formula: C36H38N2O15
Average molar mass: 738.7 g/mol
Monoisotopic mass: 738.22721851

Names & identifiers

Preferred name: D-Serine, N-((5-((4,6-dideoxy-4-(dimethylamino)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
IUPAC: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid

Names & synonyms

BMY-28946Bmy 28946131426-62-5D-Serine, N-((5-((4,6-dideoxy-4-(dimethylamino)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-DTXSID60157049(2R)-2-[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-5-(Dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxamido]-3-hydroxypropanoic acid(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxy-propanoic acidD-Serine, N-[[5-[[4,6-dideoxy-4-(dimethylamino)-.beta.-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-, (5S-trans)-

Database identifiers

CAS: 131426-62-5
PubChem CID: 461579
DTXSID: DTXSID60157049
Nikkaji: J534.410G

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 273 Å²
Hydrogen bond donors: 9
Hydrogen bond acceptors: 16
Rotatable bonds: 8
Heavy atoms: 53
Formal charge: 0
Complexity: 1,400

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…