Cas no 40736-32-1 (N-Desmethyl-7-O-desmethyl-celesticetin)
40736-32-1 structure
Product Name:N-Desmethyl-7-O-desmethyl-celesticetin
CAS No:40736-32-1
MF:C22H32N2O9S
MW:500.562485694885
CID:1996636
PubChem ID:191033
Update Time:2025-04-21
N-Desmethyl-7-O-desmethyl-celesticetin Chemical and Physical Properties
Names and Identifiers
-
- N-Desmethyl-7-O-desmethyl-celesticetin
- 2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
- 40736-32-1
- N-Demethyl-7-O-demethylcelesticetin
- D-erythro-alpha-D-galacto-Octopyranoside, 2-((2-hydroxybenzoyl)oxy)ethyl 6,8-dideoxy-6-((2-pyrrolidinylcarbonyl)amino)-1-thio-, (S)-
- 2-[(6,8-Dideoxy-6-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}octopyranosyl)thio]ethyl 2-hydroxybenzoate
- DTXSID90961156
-
- Inchi： 1S/C22H32N2O9S/c1-11(25)15(24-20(30)13-6-4-8-23-13)19-17(28)16(27)18(29)22(33-19)34-10-9-32-21(31)12-5-2-3-7-14(12)26/h2-3,5,7,11,13,15-19,22-23,25-29H,4,6,8-10H2,1H3,(H,24,30)
- InChI Key： GEJPGRHNEXXHBZ-UHFFFAOYSA-N
- SMILES： S(CCOC(C1C=CC=CC=1O)=O)C1C(C(C(C(C(C(C)O)NC(C2CCCN2)=O)O1)O)O)O
Computed Properties
- Exact Mass: 500.18285178g/mol
- Monoisotopic Mass: 500.18285178g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 34
- Rotatable Bond Count: 10
- Complexity: 687
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 203?2
N-Desmethyl-7-O-desmethyl-celesticetin Suppliers
NewCan Biotech Limited
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(CAS:40736-32-1)D-erythro-α-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-6-[[(2S)-2-pyrrolidinylcarbonyl]amino]-1-thio-
Order Number:NC28697
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:06
Price ($):Price inquiry
Email:[email protected]
N-Desmethyl-7-O-desmethyl-celesticetin Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Recommended suppliers
NewCan Biotech Limited
(CAS:40736-32-1)D-erythro-α-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-6-[[(2S)-2-pyrrolidinylcarbonyl]amino]-1-thio-
Purity:97%
Quantity:10g
Price ($):Inquiry