Cas no 1899-30-5 ((1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid)

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid structure
1899-30-5 structure
Product Name:(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
CAS No:1899-30-5
MF:C16H18O8
MW:338.309325695038
CID:1384366
PubChem ID:6441280
Update Time:2025-04-20

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
    • 3-p-Coumaroylquinic acid
    • 3-O-p-Coumaroyl quinic acid
    • 1β,3β,4β-Trihydroxy-5α-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid
    • (1S)-1β,3β,4β-Trihydroxy-5α-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α-cyclohexanecarboxylic acid
    • (1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
    • (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylic acid
    • CYCLOHEXANECARBOXYLIC ACID, 1,3,4-TRIHYDROXY-5-((3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (1S-(1.ALPHA.,3.ALPHA.,4.ALPHA.,5.BETA.(E)))-
    • Q27098307
    • 5-P-COUMAROYLQUINIC ACID, (E)-
    • 1899-30-5
    • 5-P-COQA
    • p-Coumaroylquinic acid
    • HY-N10543A
    • 2-Coumaroylquinic acid
    • 21600YP321
    • p-Coumaroyl quinic acid
    • (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexanecarboxylic acid
    • Coumaroylquinic acid
    • 5-O-(E)-p-Coumaroylquinic acid
    • trans-5-O-(4-Coumaroyl)-D-quinate
    • TRANS-P-COUMARIC ACID 5-O-D-QUINATE
    • (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
    • CS-0610713
    • 5-P-TRANS-COUMAROYLQUINIC ACID
    • 5-p-coumaroylquinic acid
    • Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (1S-(1alpha,3alpha,4alpha,5beta(E)))-
    • CINNAMIC ACID, P-HYDROXY-, 5-ESTER WITH 1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID, (E)-
    • HY-N10543
    • 5746-55-4
    • CS-0895414
    • o-Coumaroylquinic acid
    • 4C4BU5688G
    • SCHEMBL10307372
    • CYCLOHEXANECARBOXYLIC ACID, 1,3,4-TRIHYDROXY-5-(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (1S,3R,4R,5R)-
    • CHEBI:15937
    • trans-5-O-(4-coumaroyl)-D-quinic acid
    • CYCLOHEXANECARBOXYLIC ACID, 1,3,4-TRIHYDROXY-5-(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1S,3R,4R,5R)-
    • CHEBI:75500
    • UNII-4C4BU5688G
    • CHEMBL284243
    • Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (1S-(1alpha,3alpha,4alpha,5beta))-
    • 3-O-Coumaroylquinic acid
    • TS-10189
    • 3-O-p-Coumaroylquinic acid
    • DA-70005
    • DA-59466
    • (1R,3S,4R,5S)-1,3,4-TRIHYDROXY-5-[(E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYL]OXY-CYCLOHEXANE-1-CARBOXYLIC ACID
    • Inchi： 1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1
    • InChI Key： BMRSEYFENKXDIS-OTCYKTEZSA-N
    • SMILES： O(C(/C=C/C1C=CC(=CC=1)O)=O)[C@H]1[C@@H]([C@@H](C[C@@](C(=O)O)(C1)O)O)O

Computed Properties

  • Exact Mass: 338.100168
  • Monoisotopic Mass: 338.100168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 496
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 145
  • XLogP3: -0.1

Experimental Properties

  • Density: 1.55
  • Boiling Point: 613.2°C at 760 mmHg
  • Flash Point: 227°C
  • Refractive Index: 1.661

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid Related Literature

Related Categories

1899-30-5 ((1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid) Related Products

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