hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium

C6H12O10P2+2 — CID 172809163

IUPAChydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium
SMILESO=C(CO[P+](=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO[P+](=O)O
InChIInChI=1S/C6H10O10P2/c7-3(1-15-17(11)12)5(9)6(10)4(8)2-16-18(13)14/h3,5-7,9-10H,1-2H2/p+2/t3-,5+,6-/m1/s1
InChIKeyMGKIJNOYFXTAKJ-PQLUHFTBSA-P
MW306.10 g/mol
LogP-2.03
Rot. Bonds9

About hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium

hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium (PubChem CID 172809163) has the molecular formula C6H12O10P2+2 and a molecular weight of 306.10 g/mol. Its IUPAC name is hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium
PubChem CID172809163
Molecular FormulaC6H12O10P2+2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Namehydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium
SMILESO=C(CO[P+](=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO[P+](=O)O
InChIInChI=1S/C6H10O10P2/c7-3(1-15-17(11)12)5(9)6(10)4(8)2-16-18(13)14/h3,5-7,9-10H,1-2H2/p+2/t3-,5+,6-/m1/s1
InChIKeyMGKIJNOYFXTAKJ-PQLUHFTBSA-P
XLogP-2.03
TPSA170.82 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3,4-dihydroxy-2-oxobutoxy]-hydroxy-oxophosphanium
CID 57370366
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3,4,5,6-pentahydroxyhexan-2-one
CID 174485633
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate;hydrate
CID 138611496
tetrasodium;[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate;hydrate
CID 146014410
hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
CID 87604584
(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium
CID 88694405
hydroxy-oxo-[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(3-hydroxytetradecanoylamino)-6-oxohexoxy]phosphanium
CID 57346109
[(2R,3R,4R)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphate
CID 135053948
(3-hydroxy-2-oxopropyl) dihydrogen phosphate;(2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate
CID 135309142
[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] [(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxyhexyl] hydrogen phosphate
CID 118659700
hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
CID 122542023
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxoheptyl] dihydrogen phosphate
CID 102452330

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium (CID 172809163) is hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium is O=C(CO[P+](=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium?
The InChIKey is MGKIJNOYFXTAKJ-PQLUHFTBSA-P. The full InChI is InChI=1S/C6H10O10P2/c7-3(1-15-17(11)12)5(9)6(10)4(8)2-16-18(13)14/h3,5-7,9-10H,1-2H2/p+2/t3-,5+,6-/m1/s1.
What are the key properties of hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium?
hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium has a molecular weight of 306.10 g/mol, XLogP of -2.03, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[(2R,3S,4S)-2,3,4-trihydroxy-6-[hydroxy(oxo)phosphaniumyl]oxy-5-oxohexoxy]phosphanium is sourced from PubChem (CID 172809163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).