(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol

C5H12O4 — CID 87921477

IUPAC(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol
SMILES[2H]C[C@](O)(CO)[C@H](O)CO
InChIInChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m1/s1/i1D
InChIKeyHGVJFBSSLICXEM-IYAWRTBQSA-N
MW137.15 g/mol
LogP-1.92
Rot. Bonds4

About (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol

(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol (PubChem CID 87921477) has the molecular formula C5H12O4 and a molecular weight of 137.15 g/mol. Its IUPAC name is (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol
PubChem CID87921477
Molecular FormulaC5H12O4
Molecular Weight137.15 g/mol
Exact Mass137.08
IUPAC Name(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol
SMILES[2H]C[C@](O)(CO)[C@H](O)CO
InChIInChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m1/s1/i1D
InChIKeyHGVJFBSSLICXEM-IYAWRTBQSA-N
XLogP-1.92
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol (CID 87921477) is (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol is [2H]C[C@](O)(CO)[C@H](O)CO.
What is the InChIKey of (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol?
The InChIKey is HGVJFBSSLICXEM-IYAWRTBQSA-N. The full InChI is InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m1/s1/i1D.
What are the key properties of (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol?
(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol has a molecular weight of 137.15 g/mol, XLogP of -1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol is sourced from PubChem (CID 87921477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).