[2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone

C25H22ClNO8 — CID 66608048

IUPAC[2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1ccccc1-n1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccc(Cl)cc21
InChIInChI=1S/C25H22ClNO8/c26-13-7-8-14-17(10-13)27(16-5-2-1-4-15(16)21(29)18-6-3-9-33-18)11-19(14)34-25-24(32)23(31)22(30)20(12-28)35-25/h1-11,20,22-25,28,30-32H,12H2/t20-,22+,23+,24-,25+/m1/s1
InChIKeyJNYXETMALWMVMI-MASZLTEFSA-N
MW499.90 g/mol
LogP2.29
Rot. Bonds6

About [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone

[2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone (PubChem CID 66608048) has the molecular formula C25H22ClNO8 and a molecular weight of 499.90 g/mol. Its IUPAC name is [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone
PubChem CID66608048
Molecular FormulaC25H22ClNO8
Molecular Weight499.90 g/mol
Exact Mass499.10
IUPAC Name[2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1ccccc1-n1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccc(Cl)cc21
InChIInChI=1S/C25H22ClNO8/c26-13-7-8-14-17(10-13)27(16-5-2-1-4-15(16)21(29)18-6-3-9-33-18)11-19(14)34-25-24(32)23(31)22(30)20(12-28)35-25/h1-11,20,22-25,28,30-32H,12H2/t20-,22+,23+,24-,25+/m1/s1
InChIKeyJNYXETMALWMVMI-MASZLTEFSA-N
XLogP2.29
TPSA134.52 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.90
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone?
The IUPAC name of [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone (CID 66608048) is [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone?
The canonical SMILES for [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone is O=C(c1ccco1)c1ccccc1-n1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccc(Cl)cc21.
What is the InChIKey of [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone?
The InChIKey is JNYXETMALWMVMI-MASZLTEFSA-N. The full InChI is InChI=1S/C25H22ClNO8/c26-13-7-8-14-17(10-13)27(16-5-2-1-4-15(16)21(29)18-6-3-9-33-18)11-19(14)34-25-24(32)23(31)22(30)20(12-28)35-25/h1-11,20,22-25,28,30-32H,12H2/t20-,22+,23+,24-,25+/m1/s1.
What are the key properties of [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone?
[2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone has a molecular weight of 499.90 g/mol, XLogP of 2.29, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-chloro-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(furan-2-yl)methanone is sourced from PubChem (CID 66608048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).