Cas no 69370-72-5 (a-D-Mannopyranose,4,6-di-O-methyl-, tribenzoate (9CI))
69370-72-5 structure
Product Name:a-D-Mannopyranose,4,6-di-O-methyl-, tribenzoate (9CI)
CAS No:69370-72-5
MF:C29H28O9
MW:520.527229309082
CID:527205
PubChem ID:314422
Update Time:2025-04-19
a-D-Mannopyranose,4,6-di-O-methyl-, tribenzoate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- a-D-Mannopyranose,4,6-di-O-methyl-, tribenzoate (9CI)
- DTXSID30310801
- NSC231873
- NSC-231873
- 69370-72-5
-
- Inchi： 1S/C29H28O9/c1-33-18-22-23(34-2)24(36-26(30)19-12-6-3-7-13-19)25(37-27(31)20-14-8-4-9-15-20)29(35-22)38-28(32)21-16-10-5-11-17-21/h3-17,22-25,29H,18H2,1-2H3
- InChI Key： WUOKNJNBPFFTIE-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1COC)OC)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 520.173
- Monoisotopic Mass: 520.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 38
- Rotatable Bond Count: 12
- Complexity: 768
- 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: 4.6
- Topological Polar Surface Area: 107?2
Experimental Properties
- Density: 1.3
- Boiling Point: 631.2°Cat760mmHg
- Flash Point: 267°C
- Refractive Index: 1.595
a-D-Mannopyranose,4,6-di-O-methyl-, tribenzoate (9CI) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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