Identitet

PD 312236, PD 312237 Mixture

Ikke angivet · C40H70N2O22

01Identitet

Lazychem ID	LC-32985
CAS RN	Ikke angivet
PubChem CID	169438188
Molecular formula	C40H70N2O22
Molecular weight	931.0 g/mol
IUPAC name	(4S)-1-[[(3S,4S,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl]-4-(2-methylpropyl)pyrrolidin-2-one;(4S)-4-(2-methylpropyl)-1-[[(3S,4R,5R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]pyrrolidin-2-one
InChIKey	XIGRKPMPXHHUGR-MXCFTCQISA-N

02Struktur og stereokemi

Two-dimensional chemical structure of PD 312236, PD 312237 Mixture — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aliphatic carbon, has 18 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	18
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	CC(C)C[C@H]1CC(=O)N(C1)CC2([C@H]([C@@H]([C@@H](CO2)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O.CC(C)C[C@H]1CC(=O)N(C1)CC2([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O
InChI	Ikke angivet

03Stereochemistry

The published structure contains 18 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres18Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 1,048,576Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.