(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride

C7H13ClO6Se — CID 172712977

IUPAC(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride
SMILESC[Se][C@](O)(C(=O)Cl)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H13ClO6Se/c1-15-7(14,6(8)13)5(12)4(11)3(10)2-9/h3-5,9-12,14H,2H2,1H3/t3-,4-,5+,7+/m1/s1
InChIKeyFMIJPUKWWWAUTG-CXXDYQFHSA-N
MW307.59 g/mol
LogP-2.73
Rot. Bonds6

About (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride (PubChem CID 172712977) has the molecular formula C7H13ClO6Se and a molecular weight of 307.59 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride
PubChem CID172712977
Molecular FormulaC7H13ClO6Se
Molecular Weight307.59 g/mol
Exact Mass307.96
IUPAC Name(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride
SMILESC[Se][C@](O)(C(=O)Cl)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H13ClO6Se/c1-15-7(14,6(8)13)5(12)4(11)3(10)2-9/h3-5,9-12,14H,2H2,1H3/t3-,4-,5+,7+/m1/s1
InChIKeyFMIJPUKWWWAUTG-CXXDYQFHSA-N
XLogP-2.73
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 5-2.73
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'}

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Related Compounds

2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]propanedioic acid
CID 22856678
(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid
CID 163211863
(4R,5S,6S,7R)-4,5,6,7,8-pentahydroxy-2-methyl-4-propan-2-yloctan-3-one
CID 54303416
tetrakis(2-ethyl-2,3,4,5,6-pentahydroxyhexanoate);zirconium(4+)
CID 173177630
(2R,3R,4S,5R)-2-acetamido-2,3,4,5,6-pentahydroxyhexanoic acid
CID 89051494
6-amino-5-methylhexane-1,2,3,4,5-pentol
CID 174511102
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
(5R,6S,7R)-4,4-diamino-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 87427473
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl chloride
CID 88726759
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoyl chloride
CID 87444916
(2S,3S,4S,5R)-2-(2-deuterioacetyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 141156432
N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide
CID 141249710

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride?
The IUPAC name of (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride (CID 172712977) is (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride.
What is the SMILES notation for (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride?
The canonical SMILES for (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride is C[Se][C@](O)(C(=O)Cl)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride?
The InChIKey is FMIJPUKWWWAUTG-CXXDYQFHSA-N. The full InChI is InChI=1S/C7H13ClO6Se/c1-15-7(14,6(8)13)5(12)4(11)3(10)2-9/h3-5,9-12,14H,2H2,1H3/t3-,4-,5+,7+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride?
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride has a molecular weight of 307.59 g/mol, XLogP of -2.73, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylselanylhexanoyl chloride is sourced from PubChem (CID 172712977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).