Cas no 831253-97-5 (4,8,12,16,20-Pentaoxatricosa-1,22-diene-6,10,14,18-tetrol)
831253-97-5 structure
Product Name:4,8,12,16,20-Pentaoxatricosa-1,22-diene-6,10,14,18-tetrol
CAS No:831253-97-5
MF:C18H34O9
MW:394.45716714859
CID:677278
PubChem ID:71416190
Update Time:2025-04-19
4,8,12,16,20-Pentaoxatricosa-1,22-diene-6,10,14,18-tetrol Chemical and Physical Properties
Names and Identifiers
-
- 4,8,12,16,20-Pentaoxatricosa-1,22-diene-6,10,14,18-tetrol
- 1-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propoxy]-3-prop-2-enoxypropan-2-ol
- 831253-97-5
- DTXSID60835592
-
- Inchi： 1S/C18H34O9/c1-3-5-23-7-15(19)9-25-11-17(21)13-27-14-18(22)12-26-10-16(20)8-24-6-4-2/h3-4,15-22H,1-2,5-14H2
- InChI Key： SRCWCZCPHTULLW-UHFFFAOYSA-N
- SMILES： O(CC(COCC(COCC=C)O)O)CC(COCC(COCC=C)O)O
Computed Properties
- Exact Mass: 394.22028266g/mol
- Monoisotopic Mass: 394.22028266g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 27
- Rotatable Bond Count: 20
- Complexity: 322
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 127?2
4,8,12,16,20-Pentaoxatricosa-1,22-diene-6,10,14,18-tetrol Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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