D-Melezitose dihydrate

• Catalog Number: ACM10030678
• Product Name: D-Melezitose dihydrate
• CAS: 10030-67-8
• Category: Heterocyclic Organic Compound
• Synonyms: Melezitose hydrate
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate
• Molecular Weight: 522.45
• Molecular Formula: C18H32O16.H₂O
• Canonical SMILES: C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O.O
• InChI: InChI=1S/C18H32O16.H₂O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;/h5-17,19-29H,1-4H2;1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;/m1./s1
• InChI Key: CFXAVQUXSYFPDE-ZDVKUAOASA-N
• Melting Point: 160 °C(lit.)
• Flash Point: 520.9 °C
• Appearance: White crystalline powder
• Storage: 15-30 °C
• Complexity: 655
• Exact Mass: 522.17959961
• Hazard Statements: Xi
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O)O)O)O.O
• Monoisotopic Mass: 522.17959961
• Safety Description: 24/25-36-26
• Topological Polar Surface Area: 270 Ų

Custom Q&A

What is the molecular formula of D-Melezitose dihydrate?

The molecular formula of D-Melezitose dihydrate is C18H36O18.

What is the molecular weight of D-Melezitose dihydrate?

The molecular weight of D-Melezitose dihydrate is 540.5 g/mol.

What is the IUPAC name of D-Melezitose dihydrate?

The IUPAC name of D-Melezitose dihydrate is (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;dihydrate.

What is the InChI of D-Melezitose dihydrate?

The InChI of D-Melezitose dihydrate is InChI=1S/C18H32O16.2H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;;/h5-17,19-29H,1-4H2;2*1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;;/m1../s1.

What is the canonical SMILES of D-Melezitose dihydrate?

The canonical SMILES of D-Melezitose dihydrate is C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O.O.O.

What is the CAS number of D-Melezitose dihydrate?

The CAS number of D-Melezitose dihydrate is 6147-31-5.

How many hydrogen bond donor counts does D-Melezitose dihydrate have?

D-Melezitose dihydrate has 13 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does D-Melezitose dihydrate have?

D-Melezitose dihydrate has 18 hydrogen bond acceptor counts.

What is the topological polar surface area of D-Melezitose dihydrate?

The topological polar surface area of D-Melezitose dihydrate is 271?2.

How many defined atom stereocenter counts does D-Melezitose dihydrate have?

D-Melezitose dihydrate has 14 defined atom stereocenter counts.