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[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid

[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid

CAS: 58822-47-2

Formula: C17H24O11

SMILES: [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@@H](CC(O)=O)[C@H]1C=C)C(=O)OC

IUPAC: 2-[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid

InChI: InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14+,16+,17+/m1/s1

Composition: C (50.50%), H (5.98%), O (43.52%)

Molar Mass: 404.368

Atom Count: 52

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 404.131861593
Formal Charge 0
FSP3 0.65
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 5
InChIKey MQLSOVRLZHTATK-PEYNGXJCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.45
Topological Polar Surface Area 172.21
Polarizability 36.32
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
98.02% <7 Days 58822-47-2 $43.95-$267.41$43.95$92.57$157.08$267.41
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