Cas no 40031-15-0 ( )
structure
Product Name:
CAS No:40031-15-0
MF:C41H32O11
MW:700.686192512512
CID:925195
PubChem ID:236122
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- [2-benzoyloxy-2-(3,4,5-tribenzoyloxyoxolan-2-yl)ethyl] benzoate
- 1,2,3,5,6-penta-o-benzoylhexofuranose
- AC1L5VWN
- AC1Q62FB
- AR-1B5197
- CTK1D8334
- KST-1B4858
- NSC231871
- NSC38175
- DTXSID40284660
- 40031-15-0
- NSC-231871
- NSC-38175
- NSC232043
- NSC-232043
- 40031-16-1
-
-
- Inchi： 1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2
- InChI Key： IAWBDGWDEQIAPH-UHFFFAOYSA-N
- SMILES： O1C(C(C(C1C(COC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 700.19446
- Monoisotopic Mass: 700.19446183g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 52
- Rotatable Bond Count: 17
- Complexity: 1190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 141?2
Experimental Properties
- PSA: 140.73
- LogP: 6.10210
Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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