(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol

C5H9O6P — CID 91425120

IUPAC(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol
SMILESO=POC(O)[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9O6P/c6-2-1-10-4(3(2)7)5(8)11-12-9/h2-8H,1H2/t2-,3-,4-,5?/m0/s1
InChIKeyRLZPHIWUZCNKDN-OWMBCFKOSA-N
MW196.09 g/mol
LogP-1.35
Rot. Bonds3

About (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol

(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol (PubChem CID 91425120) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol
PubChem CID91425120
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Name(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol
SMILESO=POC(O)[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9O6P/c6-2-1-10-4(3(2)7)5(8)11-12-9/h2-8H,1H2/t2-,3-,4-,5?/m0/s1
InChIKeyRLZPHIWUZCNKDN-OWMBCFKOSA-N
XLogP-1.35
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 57168192
(2S,3R,4S)-2-[(1R)-1-hydroxyethyl]oxolane-3,4-diol
CID 18667402
(2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 159612670
(2R,3S,4R)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 162949873
(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 20835708
(2S,3R,4R,5S)-2-[chloro(hydroxy)methyl]oxane-3,4,5-triol
CID 54301911
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol
CID 21353691
ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
CID 10856641
[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate
CID 118147027
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol (CID 91425120) is (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol is O=POC(O)[C@H]1OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol?
The InChIKey is RLZPHIWUZCNKDN-OWMBCFKOSA-N. The full InChI is InChI=1S/C5H9O6P/c6-2-1-10-4(3(2)7)5(8)11-12-9/h2-8H,1H2/t2-,3-,4-,5?/m0/s1.
What are the key properties of (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol?
(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol has a molecular weight of 196.09 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol is sourced from PubChem (CID 91425120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).