Cas no 100402-62-8 (d-Glucose, ether with 1,3-propanediol)
100402-62-8 structure
Product Name:d-Glucose, ether with 1,3-propanediol
CAS No:100402-62-8
MF:C15H30O13
MW:418.390906810761
CID:1125725
PubChem ID:88317053
Update Time:2024-03-01
d-Glucose, ether with 1,3-propanediol Chemical and Physical Properties
Names and Identifiers
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- d-Glucose, ether with 1,3-propanediol
- Einecs 309-498-7
-
- Inchi： 1S/C12H22O11.C3H8O2/c13-1-5(17)9(19)11(21)7(3-15)23-8(4-16)12(22)10(20)6(18)2-14;4-2-1-3-5/h3-14,17-22H,1-2H2;4-5H,1-3H2/t5-,6-,7+,8+,9-,10-,11-,12-;/m1./s1
- InChI Key： QPRKHWBUPLRLLG-NWVPAHFOSA-N
- SMILES： O([C@@]([H])(C([H])=O)[C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O[H])O[H])O[H])[C@@]([H])(C([H])=O)[C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O[H])O[H])O[H].O([H])C([H])([H])C([H])([H])C([H])([H])O[H]
Computed Properties
- Exact Mass: 418.169
- Monoisotopic Mass: 418.169
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 28
- Rotatable Bond Count: 14
- Complexity: 332
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 246A^2
d-Glucose, ether with 1,3-propanediol Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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