(2R,5R)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate

Structure image for (2R,5R)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate
Appearance image for (2R,5R)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate

Product Specifications

CAS
147027-09-6
Molecular Formula
C16H26O5S
Appearance
off-white to white solid
Synonym(s)
(2R,5R)-L-Menthyl-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate；(2R,5R)-5-(Acetyloxy)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester；(2R,5R)-L-Menthyl-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate；1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-; (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-acetoxy-1,3-oxathiolane-2-carboxylate
Shipping
ambient temperature
Storage
2-8°C
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@H](CS2)OC(=O)C)C(C)C
InChI
InChI=1S/C16H26O5S/c1-9(2)12-6-5-10(3)7-13(12)20-15(18)16-21-14(8-22-16)19-11(4)17/h9-10,12-14,16H,5-8H2,1-4H3/t10-,12+,13-,14-,16-/m1/s1

Product Information

(2R,5R)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate is the product identity associated with CAS 147027-09-6. Its molecular formula is C16H26O5S. The complete stereochemical name and registry number should be used together when reviewing or exchanging product information.

The recorded structure is represented by SMILES C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@H](CS2)OC(=O)C)C(C)C. The corresponding InChI is InChI=1S/C16H26O5S/c1-9(2)12-6-5-10(3)7-13(12)20-15(18)16-21-14(8-22-16)19-11(4)17/h9-10,12-14,16H,5-8H2,1-4H3/t10-,12+,13-,14-,16-/m1/s1. The PubChem identity record resolves to CID 9996763 with InChIKey JYUPOLQFLIRYEQ-PBEGBBSFSA-N, providing additional identifiers for comparing the intended molecular identity.

For technical evaluation, confirm the full name, CAS number, molecular formula, and structure identifiers against the intended specification or structure file. When referencing this material, include the required quantity and documentation needs. Application-specific suitability should be assessed against the user's own requirements.

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