(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol

C19H25NO10 — CID 38358266

IUPAC(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
SMILESOC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C19H25NO10/c21-7-19(26)8-28-18(16(19)25)27-6-12-13(22)14(23)15(24)17(30-12)29-11-5-20-10-4-2-1-3-9(10)11/h1-5,12-18,20-26H,6-8H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
InChIKeyPCEVWHNBXIFFPJ-OTCFHACESA-N
MW427.41 g/mol
LogP-2.19
Rot. Bonds6

About (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol (PubChem CID 38358266) has the molecular formula C19H25NO10 and a molecular weight of 427.41 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
PubChem CID38358266
Molecular FormulaC19H25NO10
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Name(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
SMILESOC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C19H25NO10/c21-7-19(26)8-28-18(16(19)25)27-6-12-13(22)14(23)15(24)17(30-12)29-11-5-20-10-4-2-1-3-9(10)11/h1-5,12-18,20-26H,6-8H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
InChIKeyPCEVWHNBXIFFPJ-OTCFHACESA-N
XLogP-2.19
TPSA174.09 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.41
LogP ≤ 5-2.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol (CID 38358266) is (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol is OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol?
The InChIKey is PCEVWHNBXIFFPJ-OTCFHACESA-N. The full InChI is InChI=1S/C19H25NO10/c21-7-19(26)8-28-18(16(19)25)27-6-12-13(22)14(23)15(24)17(30-12)29-11-5-20-10-4-2-1-3-9(10)11/h1-5,12-18,20-26H,6-8H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol has a molecular weight of 427.41 g/mol, XLogP of -2.19, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(1H-indol-3-yloxy)oxane-3,4,5-triol is sourced from PubChem (CID 38358266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).