Cas no 83378-70-5 ((3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name))

(3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) structure
83378-70-5 structure
Product Name:(3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name)
CAS No:83378-70-5
MF:C20H37N3O13
MW:527.520087003708
CID:1808232
PubChem ID:3068367
Update Time:2025-04-21

(3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) Chemical and Physical Properties

Names and Identifiers

    • (3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name)
    • LogP
    • Antibiotic RH 5012C
    • 83378-70-5
    • RH 5012C
    • D-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1-2-3)-O-beta-D-mannoypyranosyl-(1-5)-2-deoxy-N(sup 3)-methyl-
    • Inchi： 1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3
    • InChI Key： GRRNUXAQVGOGFE-UHFFFAOYSA-N
    • SMILES： CNC1C(O)C(OC2C3C(OC4(C(O)C(O)C(O)C(C(CO)N)O4)O3)C(O)C(CO)O2)C(O)C(N)C1

Computed Properties

  • Exact Mass: 527.23263824g/mol
  • Monoisotopic Mass: 527.23263824g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 6
  • Complexity: 756
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.6
  • Topological Polar Surface Area: 272?2

(3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) Related Literature

Related Categories

83378-70-5 ((3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name)) Related Products

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