(2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one

C19H24O6 — CID 162998314

IUPAC(2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCC(C)(O)[C@H]1Cc2cc3cc(C(C)(C)[C@H](O)CO)c(=O)oc3cc2O1
InChIInChI=1S/C19H24O6/c1-18(2,15(21)9-20)12-6-10-5-11-7-16(19(3,4)23)24-13(11)8-14(10)25-17(12)22/h5-6,8,15-16,20-21,23H,7,9H2,1-4H3/t15-,16-/m1/s1
InChIKeyYDHWYNJNVVWLTG-HZPDHXFCSA-N
MW348.40 g/mol
LogP1.50
Rot. Bonds4

About (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one

(2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 162998314) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name(2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID162998314
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name(2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCC(C)(O)[C@H]1Cc2cc3cc(C(C)(C)[C@H](O)CO)c(=O)oc3cc2O1
InChIInChI=1S/C19H24O6/c1-18(2,15(21)9-20)12-6-10-5-11-7-16(19(3,4)23)24-13(11)8-14(10)25-17(12)22/h5-6,8,15-16,20-21,23H,7,9H2,1-4H3/t15-,16-/m1/s1
InChIKeyYDHWYNJNVVWLTG-HZPDHXFCSA-N
XLogP1.50
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 162998314) is (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one is CC(C)(O)[C@H]1Cc2cc3cc(C(C)(C)[C@H](O)CO)c(=O)oc3cc2O1.
What is the InChIKey of (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is YDHWYNJNVVWLTG-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H24O6/c1-18(2,15(21)9-20)12-6-10-5-11-7-16(19(3,4)23)24-13(11)8-14(10)25-17(12)22/h5-6,8,15-16,20-21,23H,7,9H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
(2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 348.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 162998314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).