Cas no 77870-89-4 (4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal)
77870-89-4 structure
Product Name:4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
CAS No:77870-89-4
MF:C26H28O5
MW:420.497528076172
CID:983862
PubChem ID:313287
Update Time:2025-04-20
4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal Chemical and Physical Properties
Names and Identifiers
-
- 4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
- (2S,3R,4R)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
- AC1L7N54
- AGN-PC-006MZJ
- CTK2H9142
- NSC226910
- NSC-226910
- 77870-89-4
- DTXSID00310414
- MFCD03425640
- SCHEMBL19970649
- SY316399
- 2,3,5-tris(benzyloxy)-4-hydroxypentanal
-
- Inchi： 1S/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2
- InChI Key： XUCNSIRQCBFBHF-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(C(C=O)OCC1C=CC=CC=1)C(COCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 420.19374
- Monoisotopic Mass: 420.19367399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 31
- Rotatable Bond Count: 13
- Complexity: 466
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
- LogP: 3.93380
4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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