[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite

C5H13O6P — CID 126739900

IUPAC[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite
SMILESCOC[C@H](O)[C@H](O)COP(O)O
InChIInChI=1S/C5H13O6P/c1-10-2-4(6)5(7)3-11-12(8)9/h4-9H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyBRQGRSBTJKPARU-CRCLSJGQSA-N
MW200.13 g/mol
LogP-1.42
Rot. Bonds6

About [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite

[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite (PubChem CID 126739900) has the molecular formula C5H13O6P and a molecular weight of 200.13 g/mol. Its IUPAC name is [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite.

Molecular Properties

Compound Name[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite
PubChem CID126739900
Molecular FormulaC5H13O6P
Molecular Weight200.13 g/mol
Exact Mass200.04
IUPAC Name[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite
SMILESCOC[C@H](O)[C@H](O)COP(O)O
InChIInChI=1S/C5H13O6P/c1-10-2-4(6)5(7)3-11-12(8)9/h4-9H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyBRQGRSBTJKPARU-CRCLSJGQSA-N
XLogP-1.42
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 88825483
CID 88825483
1,1-diamino-3-methoxypropan-2-ol
CID 126732231
6-methoxyhexane-1,2,4,5-tetrol
CID 123365774
(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite
CID 57030773
3-ethyl-1-methoxypentan-2-ol
CID 79568083
(4R)-1-methoxypentane-2,3,4-triol
CID 174089991
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
(3-amino-2-hydroxypropyl) dihydrogen phosphite
CID 174521537
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812
1,3-dimethoxy-4,4-dimethylpentan-2-ol
CID 116713162
1,5-dimethoxypentane-2,4-diol
CID 88937884

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite?
The IUPAC name of [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite (CID 126739900) is [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite.
What is the SMILES notation for [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite?
The canonical SMILES for [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite is COC[C@H](O)[C@H](O)COP(O)O.
What is the InChIKey of [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite?
The InChIKey is BRQGRSBTJKPARU-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H13O6P/c1-10-2-4(6)5(7)3-11-12(8)9/h4-9H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite?
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite has a molecular weight of 200.13 g/mol, XLogP of -1.42, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite is sourced from PubChem (CID 126739900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).