(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)

C22H34O16 — CID 173101486

IUPAC(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.OC[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C4H10O4.6C3H4O2/c5-1-3(7)4(8)2-6;6*1-2-3(4)5/h3-8H,1-2H2;6*2H,1H2,(H,4,5)/t3-,4+;;;;;;
InChIKeyGAFQFMYYKKGVRZ-YMSRMQAYSA-N
MW554.50 g/mol
LogP-0.77
Rot. Bonds9

About (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)

(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid) (PubChem CID 173101486) has the molecular formula C22H34O16 and a molecular weight of 554.50 g/mol. Its IUPAC name is (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid).

Molecular Properties

Compound Name(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)
PubChem CID173101486
Molecular FormulaC22H34O16
Molecular Weight554.50 g/mol
Exact Mass554.18
IUPAC Name(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.OC[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C4H10O4.6C3H4O2/c5-1-3(7)4(8)2-6;6*1-2-3(4)5/h3-8H,1-2H2;6*2H,1H2,(H,4,5)/t3-,4+;;;;;;
InChIKeyGAFQFMYYKKGVRZ-YMSRMQAYSA-N
XLogP-0.77
TPSA304.72 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.50
LogP ≤ 5-0.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;bis(prop-2-enoic acid)
CID 175773611
pentakis((2S,3R)-butane-1,2,3,4-tetrol);bis((Z)-but-2-enedioic acid)
CID 157481940
(2R,3S)-6,6-dimethylheptane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)
CID 158494943
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
propane-1,3-diol;propane-1,2,3-triol;tris(prop-2-enoic acid)
CID 173421705
nonane-1,9-diol;bis(propane-1,2,3-triol);bis(prop-2-enoic acid)
CID 161436278
prop-2-enoic acid;silylmethanol
CID 175499184
ethanol;prop-2-enoic acid
CID 159350313
[(2R,3R)-2,3,4-trihydroxybutyl] prop-2-enoate
CID 87646128
2-ethylpropane-1,3-diol;bis(prop-2-enoic acid)
CID 87649456
prop-2-enoic acid;pentahydrobromide
CID 172798031

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)?
The IUPAC name of (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid) (CID 173101486) is (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid).
What is the SMILES notation for (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)?
The canonical SMILES for (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.OC[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)?
The InChIKey is GAFQFMYYKKGVRZ-YMSRMQAYSA-N. The full InChI is InChI=1S/C4H10O4.6C3H4O2/c5-1-3(7)4(8)2-6;6*1-2-3(4)5/h3-8H,1-2H2;6*2H,1H2,(H,4,5)/t3-,4+;;;;;;.
What are the key properties of (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)?
(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid) has a molecular weight of 554.50 g/mol, XLogP of -0.77, 9 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid) is sourced from PubChem (CID 173101486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).