(2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride

C30H67FO6Si4 — CID 54028795

IUPAC(2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride
SMILESCC(C)(C)[Si](C)(C)C(O)[C@@H](O)[C@@](O)([C@](O)([C@@](O)(C(=O)F)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H67FO6Si4/c1-24(2,3)38(13,14)22(33)21(32)28(35,39(15,16)25(4,5)6)30(37,41(19,20)27(10,11)12)29(36,23(31)34)40(17,18)26(7,8)9/h21-22,32-33,35-37H,1-20H3/t21-,22?,28+,29-,30-/m1/s1
InChIKeyLECIHXKDKYOJID-XMFNBMIFSA-N
MW655.20 g/mol
LogP6.59
Rot. Bonds9

About (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride

(2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride (PubChem CID 54028795) has the molecular formula C30H67FO6Si4 and a molecular weight of 655.20 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride
PubChem CID54028795
Molecular FormulaC30H67FO6Si4
Molecular Weight655.20 g/mol
Exact Mass654.40
IUPAC Name(2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride
SMILESCC(C)(C)[Si](C)(C)C(O)[C@@H](O)[C@@](O)([C@](O)([C@@](O)(C(=O)F)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H67FO6Si4/c1-24(2,3)38(13,14)22(33)21(32)28(35,39(15,16)25(4,5)6)30(37,41(19,20)27(10,11)12)29(36,23(31)34)40(17,18)26(7,8)9/h21-22,32-33,35-37H,1-20H3/t21-,22?,28+,29-,30-/m1/s1
InChIKeyLECIHXKDKYOJID-XMFNBMIFSA-N
XLogP6.59
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.20
LogP ≤ 56.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
The IUPAC name of (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride (CID 54028795) is (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride.
What is the SMILES notation for (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
The canonical SMILES for (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride is CC(C)(C)[Si](C)(C)C(O)[C@@H](O)[C@@](O)([C@](O)([C@@](O)(C(=O)F)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
The InChIKey is LECIHXKDKYOJID-XMFNBMIFSA-N. The full InChI is InChI=1S/C30H67FO6Si4/c1-24(2,3)38(13,14)22(33)21(32)28(35,39(15,16)25(4,5)6)30(37,41(19,20)27(10,11)12)29(36,23(31)34)40(17,18)26(7,8)9/h21-22,32-33,35-37H,1-20H3/t21-,22?,28+,29-,30-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
(2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride has a molecular weight of 655.20 g/mol, XLogP of 6.59, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2,3,4,6-tetrakis[tert-butyl(dimethyl)silyl]-2,3,4,5,6-pentahydroxyhexanoyl fluoride is sourced from PubChem (CID 54028795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).