bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate

C30H22O6 — CID 101363551

IUPACbis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C(Oc1cccc2c1Cc1ccccc1-2)[C@H](O)[C@@H](O)C(=O)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C30H22O6/c31-27(29(33)35-25-13-5-11-21-19-9-3-1-7-17(19)15-23(21)25)28(32)30(34)36-26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26/h1-14,27-28,31-32H,15-16H2/t27-,28-/m1/s1
InChIKeyWLGIPZPXXGUFIK-VSGBNLITSA-N
MW478.50 g/mol
LogP4.06
Rot. Bonds5

About bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate

bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 101363551) has the molecular formula C30H22O6 and a molecular weight of 478.50 g/mol. Its IUPAC name is bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID101363551
Molecular FormulaC30H22O6
Molecular Weight478.50 g/mol
Exact Mass478.14
IUPAC Namebis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C(Oc1cccc2c1Cc1ccccc1-2)[C@H](O)[C@@H](O)C(=O)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C30H22O6/c31-27(29(33)35-25-13-5-11-21-19-9-3-1-7-17(19)15-23(21)25)28(32)30(34)36-26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26/h1-14,27-28,31-32H,15-16H2/t27-,28-/m1/s1
InChIKeyWLGIPZPXXGUFIK-VSGBNLITSA-N
XLogP4.06
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-1-yl carbonochloridate
CID 57317054
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
9H-fluoren-1-yl 4-hydroxybenzoate
CID 153455636
4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate
CID 91582419
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
9H-fluoren-1-yl 2,3,3-tris(9H-fluoren-1-yl)prop-2-enoate
CID 150920620
9H-fluoren-1-yloxy-hydroxy-oxophosphanium
CID 172827585
9H-fluoren-1-yl 2-cyano-2-fluoren-9-ylideneacetate
CID 90720769
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluorene-1-carboxamide
CID 18474131
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
2-(9H-fluoren-1-yloxy)acetaldehyde
CID 87173259

Frequently Asked Questions

What is the IUPAC name of bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate (CID 101363551) is bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate is O=C(Oc1cccc2c1Cc1ccccc1-2)[C@H](O)[C@@H](O)C(=O)Oc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is WLGIPZPXXGUFIK-VSGBNLITSA-N. The full InChI is InChI=1S/C30H22O6/c31-27(29(33)35-25-13-5-11-21-19-9-3-1-7-17(19)15-23(21)25)28(32)30(34)36-26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26/h1-14,27-28,31-32H,15-16H2/t27-,28-/m1/s1.
What are the key properties of bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate?
bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 478.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 101363551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).