Cas no 70723-13-6 ([(5S,6R,8R,9R)-8,9-Diacetyloxy-2-oxo-1,3,7-trioxaspiro[4.4]nonan-6-yl]methyl benzoate)
![[(5S,6R,8R,9R)-8,9-Diacetyloxy-2-oxo-1,3,7-trioxaspiro[4.4]nonan-6-yl]methyl benzoate structure](https://ossimg.kuujia.com/scimg/71000/70723-13-6x500.png)
70723-13-6 structure
Product Name:[(5S,6R,8R,9R)-8,9-Diacetyloxy-2-oxo-1,3,7-trioxaspiro[4.4]nonan-6-yl]methyl benzoate
CAS No:70723-13-6
MF:C18H18O10
MW:394.329526424408
CID:2670394
Update Time:2023-08-06
[(5S,6R,8R,9R)-8,9-Diacetyloxy-2-oxo-1,3,7-trioxaspiro[4.4]nonan-6-yl]methyl benzoate Chemical and Physical Properties
Names and Identifiers
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- 3-C-(Hydroxymethyl)-α-D-xylofuranose 1,2-diacetate 5-benzoate 3,3-carbonate
- 3-C-(Hydroxymethyl)-alpha-D-xylofuranose 1,2-diacetate 5-benzoate 3,3-carbonate
- [(5S,6R,8R,9R)-8,9-Diacetyloxy-2-oxo-1,3,7-trioxaspiro[4.4]nonan-6-yl]methyl benzoate
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- Inchi： 1S/C18H18O10/c1-10(19)25-14-16(26-11(2)20)27-13(18(14)9-24-17(22)28-18)8-23-15(21)12-6-4-3-5-7-12/h3-7,13-14,16H,8-9H2,1-2H3/t13-,14+,16+,18+/m1/s1
- InChI Key： RHRSFXITJAYNCY-OAOQPFQOSA-N
- SMILES： O1[C@@H]([C@@H]([C@]2(COC(=O)O2)[C@H]1COC(C1C=CC=CC=1)=O)OC(C)=O)OC(C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 28
- Rotatable Bond Count: 8
- Complexity: 640
- Topological Polar Surface Area: 124
[(5S,6R,8R,9R)-8,9-Diacetyloxy-2-oxo-1,3,7-trioxaspiro[4.4]nonan-6-yl]methyl benzoate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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