Chemical identity

PD 312236, PD 312237 Mixture

CAS not listed · C40H70N2O22

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-32985
PubChem CID169438188
NamePD 312236, PD 312237 Mixture
CAS RNNot listed
Molecular formulaC40H70N2O22
Molecular weight931.0 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
InChIKeyXIGRKPMPXHHUGR-MXCFTCQISA-N

02Structure identifiers

2D structurePubChem CID 169438188
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 stereocentres18
Unassigned stereocentres2
Ring count6
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(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
InChINot listed
Formula from structureC40H70N2O22
Molecular weight from structure931.0 g/mol

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources