(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid

C6H15O10P — CID 66665794

IUPAC(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
SMILESO=P(O)(O)O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.H3O4P/c7-1-2-3(8)4(9)5(10)6(11)12-2;1-5(2,3)4/h2-11H,1H2;(H3,1,2,3,4)/t2-,3-,4+,5-,6-;/m1./s1
InChIKeyGZZOCPZTALAJHU-WYRLRVFGSA-N
MW278.15 g/mol
LogP-4.15
Rot. Bonds1

About (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid (PubChem CID 66665794) has the molecular formula C6H15O10P and a molecular weight of 278.15 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
PubChem CID66665794
Molecular FormulaC6H15O10P
Molecular Weight278.15 g/mol
Exact Mass278.04
IUPAC Name(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
SMILESO=P(O)(O)O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.H3O4P/c7-1-2-3(8)4(9)5(10)6(11)12-2;1-5(2,3)4/h2-11H,1H2;(H3,1,2,3,4)/t2-,3-,4+,5-,6-;/m1./s1
InChIKeyGZZOCPZTALAJHU-WYRLRVFGSA-N
XLogP-4.15
TPSA188.14 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.15
LogP ≤ 5-4.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
formaldehyde;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 20591630
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid?
The IUPAC name of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid (CID 66665794) is (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid.
What is the SMILES notation for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid?
The canonical SMILES for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid is O=P(O)(O)O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid?
The InChIKey is GZZOCPZTALAJHU-WYRLRVFGSA-N. The full InChI is InChI=1S/C6H12O6.H3O4P/c7-1-2-3(8)4(9)5(10)6(11)12-2;1-5(2,3)4/h2-11H,1H2;(H3,1,2,3,4)/t2-,3-,4+,5-,6-;/m1./s1.
What are the key properties of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid?
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid has a molecular weight of 278.15 g/mol, XLogP of -4.15, 1 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid is sourced from PubChem (CID 66665794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).