CID 59914615

C11H21O10P2-2 — CID 59914615

IUPAC—
SMILESCC(C)OP(=O)([O-])OC[C@@H](O)[C@@H]([CH]C=O)OP(=O)([O-])OC(C)C
InChIInChI=1S/C11H23O10P2/c1-8(2)19-22(14,15)18-7-10(13)11(5-6-12)21-23(16,17)20-9(3)4/h5-6,8-11,13H,7H2,1-4H3,(H,14,15)(H,16,17)/p-2/t10-,11-/m1/s1
InChIKeyYFPXNOSRAUMKEA-GHMZBOCLSA-L
MW375.23 g/mol
LogP-0.06
Rot. Bonds12

About CID 59914615

CID 59914615 (PubChem CID 59914615) has the molecular formula C11H21O10P2-2 and a molecular weight of 375.23 g/mol.

Molecular Properties

Compound NameCID 59914615
PubChem CID59914615
Molecular FormulaC11H21O10P2-2
Molecular Weight375.23 g/mol
Exact Mass375.06
IUPAC Name—
SMILESCC(C)OP(=O)([O-])OC[C@@H](O)[C@@H]([CH]C=O)OP(=O)([O-])OC(C)C
InChIInChI=1S/C11H23O10P2/c1-8(2)19-22(14,15)18-7-10(13)11(5-6-12)21-23(16,17)20-9(3)4/h5-6,8-11,13H,7H2,1-4H3,(H,14,15)(H,16,17)/p-2/t10-,11-/m1/s1
InChIKeyYFPXNOSRAUMKEA-GHMZBOCLSA-L
XLogP-0.06
TPSA154.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 58971764
CID 58971764
2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
CID 155766203
[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate
CID 172836659
[(E)-4-hydroxy-5-methoxy-1-oxidopent-1-en-3-yl] methyl phosphate;(Z)-4-hydroxy-5-methoxypent-2-enal;methyl hydrogen phosphate
CID 159393563
[(2S)-1,2-dihydroxy-4,12-dioxododecan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate
CID 87789705
[(2S)-2,3-dihydroxy-4-oxotridecyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 88503852
disodium;[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate
CID 172676675
[(2R,3S,4R)-2,3,4-trihydroxy-6-oxohexyl] phosphate
CID 46878412
(2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate;phosphoric acid
CID 175031985
calcium 2-hydroxypropyl phosphate
CID 20976017
3-[bis(2-carboxylatoethyl)-[5-hydroxy-2-[[oxido(propan-2-yloxy)phosphoryl]oxymethyl]oxolan-3-yl]phosphaniumyl]propanoate;3-[bis(2-carboxylatoethyl)phosphanyl]propanoate;bis([(Z)-2-hydroxy-5-oxopent-3-enyl] propan-2-yl phosphate);pentakis(propan-2-yl phosphate);hydroxide
CID 158693746
barium(2+);(2,3,4-trihydroxy-5-oxopentyl) phosphate;hexahydrate
CID 171035174

Frequently Asked Questions

What is the IUPAC name of CID 59914615?
The IUPAC name of CID 59914615 (CID 59914615) is not available.
What is the SMILES notation for CID 59914615?
The canonical SMILES for CID 59914615 is CC(C)OP(=O)([O-])OC[C@@H](O)[C@@H]([CH]C=O)OP(=O)([O-])OC(C)C.
What is the InChIKey of CID 59914615?
The InChIKey is YFPXNOSRAUMKEA-GHMZBOCLSA-L. The full InChI is InChI=1S/C11H23O10P2/c1-8(2)19-22(14,15)18-7-10(13)11(5-6-12)21-23(16,17)20-9(3)4/h5-6,8-11,13H,7H2,1-4H3,(H,14,15)(H,16,17)/p-2/t10-,11-/m1/s1.
What are the key properties of CID 59914615?
CID 59914615 has a molecular weight of 375.23 g/mol, XLogP of -0.06, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59914615 is sourced from PubChem (CID 59914615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).