Phosphorofluoridic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexyl 1-methylethyl ester, hydrate (2:1)
CAS Registry Number®
353754-93-5
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CAS Name
Phosphorofluoridic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexyl 1-methylethyl ester, hydrate (2:1)Molecular Formula
C19H35FN3O5PS.1/2H2OCite this Page
Phosphorofluoridic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexyl 1-methylethyl ester, hydrate (2:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=353754-93-5 (retrieved ) (CAS RN: 353754-93-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C19H35FN3O5PS.H2O/c1-14(2)28-29(20,26)27-12-8-4-3-7-11-21-17(24)10-6-5-9-16-18-15(13-30-16)22-19(25)23-18;/h14-16,18H,3-13H2,1-2H3,(H,21,24)(H2,22,23,25);1H2/t15-,16-,18-,29?;/m0./s1
InChIKey
InChIKey=XOSXASJNYNWRCD-YQGGMDDXSA-N
SMILES
C(CCCC(NCCCCCCOP(OC(C)C)(F)=O)=O)[C@H]1[C@@]2([C@@](NC(=O)N2)(CS1)[H])[H].O
Canonical SMILES
O=C1NC2CSC(CCCCC(=O)NCCCCCCOP(=O)(F)OC(C)C)C2N1.O
Other Names for this Substance
- Phosphorofluoridic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexyl 1-methylethyl ester, hydrate (2:1)
