Cas no 117192-99-1 (D-scyllo-Inositol, O-(6x)-a-D-manno-heptopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-D-xylopyranosyl-(1®1)-O-[3-amino-3-deoxy-a-D-mannopyranosyl-(1®3)]-)
![D-scyllo-Inositol, O-(6x)-a-D-manno-heptopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-D-xylopyranosyl-(1®1)-O-[3-amino-3-deoxy-a-D-mannopyranosyl-(1®3)]- structure](https://ossimg.kuujia.com/scimg/117500/117192-99-1x500.png)
117192-99-1 structure
Product Name:D-scyllo-Inositol, O-(6x)-a-D-manno-heptopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-D-xylopyranosyl-(1®1)-O-[3-amino-3-deoxy-a-D-mannopyranosyl-(1®3)]-
CAS No:117192-99-1
MF:C27H48N4O21
MW:764.684229850769
CID:159341
PubChem ID:164029
Update Time:2025-04-19
D-scyllo-Inositol, O-(6x)-a-D-manno-heptopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-D-xylopyranosyl-(1®1)-O-[3-amino-3-deoxy-a-D-mannopyranosyl-(1®3)]- Chemical and Physical Properties
Names and Identifiers
-
- [2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoylox y-4-[5-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-4-hydrox y-3-methylamino-oxan-2-yl]oxy-3,6-dihydroxy-cyclohexyl] ca
- [4-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2-[5-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-3-(methylamino)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl] carba
- D-scyllo-Inositol, O-(6x)-a-D-manno-heptopyranosyl-(1®
- 4)-O-2-deoxy-2-(methylamino)-a-D-xylopyranosyl-(1®
- 4-[(3-amino-3-deoxyhexopyranosyl)oxy]-6-{[2-deoxy-4-O-heptopyranosyl-2-(methylamino)pentopyranosyl]oxy}-2,5-dihydroxycyclohexane-1,3-diyl dicarbamate
- boholmycin
- [2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoylox y-4-[5-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-4-hydrox y-3-methylamino-oxan-2-yl]oxy-3,6-dihydroxy-cyclohexyl] carbamate
- CHEBI:222087
- [4-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2-[5-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-3-(methylamino)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl] carbamate
- 117192-99-1
- D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-D-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate
- BU 2589
- BMY 28321
- DTXSID40922318
- D-scyllo-Inositol, O-3-amino-3-deoxy-alpha-mannopyranosyl-(1-3)-O-(O-heptopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-D-xylopyranosyl-(1-1))-, 4,6-dicarbamate
- [2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoylox y-4-[5-[6-(1,2-dihydroxyethyl
- 4-[(3-Amino-3-deoxyhexopyranosyl)oxy]-6-{[2-deoxy-4-O-heptopyranosyl-2-(methylamino)pentopyranosyl]oxy}-2,5-dihydroxycyclohexane-1,3-diyl bis(hydrogen carbonimidate)
- D-scyllo-Inositol, O-(6x)-a-D-manno-heptopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-D-xylopyranosyl-(1®1)-O-[3-amino-3-deoxy-a-D-mannopyranosyl-(1®3)]-
-
- Inchi： 1S/C27H48N4O21/c1-31-9-11(36)7(47-25-15(40)13(38)14(39)18(48-25)5(34)2-32)4-45-23(9)49-19-16(41)20(22(52-27(30)44)17(42)21(19)51-26(29)43)50-24-12(37)8(28)10(35)6(3-33)46-24/h5-25,31-42H,2-4,28H2,1H3,(H2,29,43)(H2,30,44)
- InChI Key： JPGBWUBDJIISRF-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(CO1)OC1C(C(C(C(C(CO)O)O1)O)O)O)O)NC)C1C(C(C(C(C1O)OC1C(C(C(C(CO)O1)O)N)O)OC(N)=O)O)OC(N)=O
Computed Properties
- Exact Mass: 764.28114
- Monoisotopic Mass: 764.281
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 15
- Hydrogen Bond Acceptor Count: 23
- Heavy Atom Count: 52
- Rotatable Bond Count: 14
- Complexity: 1180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 21
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -9
- Topological Polar Surface Area: 421?2
Experimental Properties
- Density: 1.75
- Boiling Point: 1171.4°Cat760mmHg
- Flash Point: 662.2°C
- Refractive Index: 1.674
- PSA: 420.6
D-scyllo-Inositol, O-(6x)-a-D-manno-heptopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-D-xylopyranosyl-(1®1)-O-[3-amino-3-deoxy-a-D-mannopyranosyl-(1®3)]- Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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