5,6-Dihydroxy-6-(1-hydroxyethyl)-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Basic information
- CAS
19637-66-2- Standard SMILES
CC(C)C1C(=O)OC2CCN3CC=C(COC(=O)C(O)(C(C)O)C1O)C23- InChIKey
JGQRXNDIMGIXDT-UHFFFAOYSA-N- Molecular formula
- C18H27NO7
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.1787522
Names & identifiers
- Preferred name
- 5,6-Dihydroxy-6-(1-hydroxyethyl)-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
- IUPAC
- 5,6-dihydroxy-6-(1-hydroxyethyl)-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Names & synonyms
5,6-dihydroxy-6-(1-hydroxyethyl)-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dioneNSC-211515orb1991349DTXSID40941403NSC211515AKOS040735438T1254464,5-Dihydroxy-5-(1-hydroxyethyl)-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
Database identifiers
- CAS
19637-66-2- PubChem CID
- 309285
- DTXSID
DTXSID40941403
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 619
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Compound notes
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