Einecs 265-936-6

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Basic information

CAS: 65826-02-0
Standard SMILES: CC[C@@]12C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42.O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: IVYZKAJKXRPDKP-CHQOHFEQSA-N
Molecular formula: C27H37N2O11P
Average molar mass: 596.6 g/mol
Monoisotopic mass: 596.213497

Names & identifiers

Preferred name: Einecs 265-936-6
IUPAC: methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

Names & synonyms

EINECS 265-936-665826-02-0Methyl (3alpha,16alpha)-eburnamenine-14-carboxylate, compound withalpha-D-glucopyranose 1-(dihydrogen phosphate) (1:1)DTXSID60984317Methyl eburnamenine-14-carboxylate--1-O-phosphonohexopyranose (1/1)Methyl 3alpha,16alpha-eburnamenine-14-carboxylate--1-O-phosphono-beta-D-glucopyranose (1/1)

Database identifiers

CAS: 65826-02-0
PubChem CID: 3085335
DTXSID: DTXSID60984317
EC Number: 265-936-6

Properties

Computed structural properties

Topological polar surface area: 191 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 12
Rotatable bonds: 6
Heavy atoms: 41
Formal charge: 0
Complexity: 880

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Compound notes

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