(2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol

C5H13O3P — CID 89333114

IUPAC(2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol
SMILESC[C@H](CO)[C@H](O)COP
InChIInChI=1S/C5H13O3P/c1-4(2-6)5(7)3-8-9/h4-7H,2-3,9H2,1H3/t4-,5-/m1/s1
InChIKeyDBELDGCVBLVMFK-RFZPGFLSSA-N
MW152.13 g/mol
LogP-0.22
Rot. Bonds4

About (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol

(2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol (PubChem CID 89333114) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol.

Molecular Properties

Compound Name(2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol
PubChem CID89333114
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Name(2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol
SMILESC[C@H](CO)[C@H](O)COP
InChIInChI=1S/C5H13O3P/c1-4(2-6)5(7)3-8-9/h4-7H,2-3,9H2,1H3/t4-,5-/m1/s1
InChIKeyDBELDGCVBLVMFK-RFZPGFLSSA-N
XLogP-0.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
[(2S)-2,4-dihydroxy-3-methylbutyl] phosphono hydrogen phosphate
CID 91754583
(2R,3S)-4-bromo-2-methylbutane-1,3-diol
CID 132937045
butane-1,2,3,4-tetrol;3-methylbutane-1,2,4-triol;2-methylpropane-1,3-diol
CID 159826635
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
3,4-dimethylpentane-1,2,5-triol
CID 91805402
4,5-dihydroxy-6-phosphanyloxyhexan-3-one
CID 89354367
(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577
3,5-dimethylhexane-1,2,4,6-tetrol
CID 14758507
2,3-dimethylhexane-1,4-diol
CID 57128275

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol?
The IUPAC name of (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol (CID 89333114) is (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol.
What is the SMILES notation for (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol?
The canonical SMILES for (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol is C[C@H](CO)[C@H](O)COP.
What is the InChIKey of (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol?
The InChIKey is DBELDGCVBLVMFK-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H13O3P/c1-4(2-6)5(7)3-8-9/h4-7H,2-3,9H2,1H3/t4-,5-/m1/s1.
What are the key properties of (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol?
(2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol has a molecular weight of 152.13 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol is sourced from PubChem (CID 89333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).